2-azanyl-6-(4-chlorophenyl)carbonyl-4-phenyl-5-sulfanylidene-7H-pyrrolo[3,4-b]pyridine-3-carbonitrile

Systemtic Name: 2-azanyl-6-(4-chlorophenyl)carbonyl-4-phenyl-5-sulfanylidene-7H-pyrrolo[3,4-b]pyridine-3-carbonitrile Openeye Name: 2-amino-6-(4-chlorobenzoyl)-4-phenyl-5-thioxo-7H-pyrrolo[3,4-b]pyridine-3-carbonitrile CAS Name: 2-amino-6-[(4-chlorophenyl)-oxomethyl]-4-phenyl-5-sulfanylidene-7H-pyrrolo[3,4-b]pyridine-3-carbonitrile IUPAC Name: 2-amino-6-(4-chlorobenzoyl)-4-phenyl-5-sulfanylidene-7H-pyrrolo[3,4-b]pyridine-3-carbonitrile Traditional Name: 2-amino-6-(4-chlorobenzoyl)-4-phenyl-5-thioxo-7H-pyrrolo[3,4-b]pyridine-3-carbonitrile Formula: C21H13ClN4OS MolecularWeight: 404.87212

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(C(=C(C(=N2)N)C#N)C3=CC=CC=C3)C(=S)N1C(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1C2=C(C(=C(C(=N2)N)C#N)C3=CC=CC=C3)C(=S)N1C(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H13ClN4OS/c22-14-8-6-13(7-9-14)20(27)26-11-16-18(21(26)28)17(12-4-2-1-3-5-12)15(10-23)19(24)25-16/h1-9H,11H2,(H2,24,25)