4-(2-oxidanylidene-[1,3]dithiolo[4,5-c]pyrrol-5-yl)benzenecarbonitrile

Systemtic Name: 4-(2-oxidanylidene-[1,3]dithiolo[4,5-c]pyrrol-5-yl)benzenecarbonitrile Openeye Name: 4-(2-oxo-[1,3]dithiolo[4,5-c]pyrrol-5-yl)benzonitrile CAS Name: 4-(2-oxo-[1,3]dithiolo[4,5-c]pyrrol-5-yl)benzonitrile IUPAC Name: 4-(2-oxo-[1,3]dithiolo[4,5-c]pyrrol-5-yl)benzonitrile Traditional Name: 4-(2-keto-[1,3]dithiolo[4,5-c]pyrrol-5-yl)benzonitrile Formula: C12H6N2OS2 MolecularWeight: 258.31884

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#N)N2C=C3C(=C2)SC(=O)S3

Isomeric SMILES

C1=CC(=CC=C1C#N)N2C=C3C(=C2)SC(=O)S3

InChI

InChI=1S/C12H6N2OS2/c13-5-8-1-3-9(4-2-8)14-6-10-11(7-14)17-12(15)16-10/h1-4,6-7H