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

Systemtic Name: 2-azanyl-6-(4-nitrophenyl)carbonyl-4-phenyl-5-sulfanylidene-7H-pyrrolo[3,4-b]pyridine-3-carbonitrile Openeye Name: 2-amino-6-(4-nitrobenzoyl)-4-phenyl-5-thioxo-7H-pyrrolo[3,4-b]pyridine-3-carbonitrile CAS Name: 2-amino-6-[(4-nitrophenyl)-oxomethyl]-4-phenyl-5-sulfanylidene-7H-pyrrolo[3,4-b]pyridine-3-carbonitrile IUPAC Name: 2-amino-6-(4-nitrobenzoyl)-4-phenyl-5-sulfanylidene-7H-pyrrolo[3,4-b]pyridine-3-carbonitrile Traditional Name: 2-amino-6-(4-nitrobenzoyl)-4-phenyl-5-thioxo-7H-pyrrolo[3,4-b]pyridine-3-carbonitrile Formula: C21H13N5O3S MolecularWeight: 415.42462

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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)[N+](=O)[O-]

Isomeric SMILES

C1C2=C(C(=C(C(=N2)N)C#N)C3=CC=CC=C3)C(=S)N1C(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H13N5O3S/c22-10-15-17(12-4-2-1-3-5-12)18-16(24-19(15)23)11-25(21(18)30)20(27)13-6-8-14(9-7-13)26(28)29/h1-9H,11H2,(H2,23,24)