SOV

5-[2,5-bis(oxidanylidene)pyrrol-1-yl]-2-methyl-benzenecarbonitrile

Created:	2020-03-11
Last modified:	2020-07-22

Find Related PDB Entry
1 entries where SOV is found as a standalone ligand

Find related ligands:

Similar Ligands (Stereospecific) Similar Ligands (including Stereoisomers) Similar Ligands (Quick Screen) Similar Ligands (Substructure Stereospecific) Similar Ligands (Substructure including Stereoisomers)

Chemical Details
Formal Charge	0
Atom Count	24
Chiral Atom Count	0
Bond Count	25
Aromatic Bond Count	6

2D diagram of SOV

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	5-[2,5-bis(oxidanylidene)pyrrol-1-yl]-2-methyl-benzenecarbonitrile
Systematic Name (OpenEye OEToolkits)	5-[2,5-bis(oxidanylidene)pyrrol-1-yl]-2-methyl-benzenecarbonitrile
Formula	C₁₂ H₈ N₂ O₂
Molecular Weight	212.204
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	Cc1ccc(cc1C#N)N2C(=O)C=CC2=O
SMILES	OpenEye OEToolkits	2.0.6	Cc1ccc(cc1C#N)N2C(=O)C=CC2=O
Canonical SMILES	CACTVS	3.385	Cc1ccc(cc1C#N)N2C(=O)C=CC2=O
Canonical SMILES	OpenEye OEToolkits	2.0.6	Cc1ccc(cc1C#N)N2C(=O)C=CC2=O
InChI	InChI	1.03	InChI=1S/C12H8N2O2/c1-8-2-3-10(6-9(8)7-13)14-11(15)4-5-12(14)16/h2-6H,1H3
InChIKey	InChI	1.03	USWFOGGKPGXVBB-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	146676935

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.