1,4-dimethyl-2-oxidanylidene-7-sulfanyl-11H-pyrido[2,3-b][1,5]benzodiazepine-3-carbonitrile

Systemtic Name: 1,4-dimethyl-2-oxidanylidene-7-sulfanyl-11H-pyrido[2,3-b][1,5]benzodiazepine-3-carbonitrile Openeye Name: 1,4-dimethyl-2-oxo-7-sulfanyl-11H-pyrido[2,3-b][1,5]benzodiazepine-3-carbonitrile CAS Name: 7-mercapto-1,4-dimethyl-2-oxo-11H-pyrido[2,3-b][1,5]benzodiazepine-3-carbonitrile IUPAC Name: 1,4-dimethyl-2-oxo-7-sulfanyl-11H-pyrido[2,3-b][1,5]benzodiazepine-3-carbonitrile Traditional Name: 2-keto-7-mercapto-1,4-dimethyl-11H-pyrido[2,3-b][1,5]benzodiazepine-3-carbonitrile Formula: C15H12N4OS MolecularWeight: 296.34698

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(C2=C1C=NC3=C(N2)C=CC=C3S)C)C#N

Isomeric SMILES

CC1=C(C(=O)N(C2=C1C=NC3=C(N2)C=CC=C3S)C)C#N

InChI

InChI=1S/C15H12N4OS/c1-8-9(6-16)15(20)19(2)14-10(8)7-17-13-11(18-14)4-3-5-12(13)21/h3-5,7,18,21H,1-2H3