2-(3-nitrophenyl)-6-oxidanylidene-3-phenyl-4-sulfanyl-1,2-dihydropyrimidine-5-carbonitrile

Systemtic Name: 2-(3-nitrophenyl)-6-oxidanylidene-3-phenyl-4-sulfanyl-1,2-dihydropyrimidine-5-carbonitrile Openeye Name: 2-(3-nitrophenyl)-6-oxo-3-phenyl-4-sulfanyl-1,2-dihydropyrimidine-5-carbonitrile CAS Name: 4-mercapto-2-(3-nitrophenyl)-6-oxo-3-phenyl-1,2-dihydropyrimidine-5-carbonitrile IUPAC Name: 2-(3-nitrophenyl)-6-oxo-3-phenyl-4-sulfanyl-1,2-dihydropyrimidine-5-carbonitrile Traditional Name: 6-keto-4-mercapto-2-(3-nitrophenyl)-3-phenyl-1,2-dihydropyrimidine-5-carbonitrile Formula: C17H12N4O3S MolecularWeight: 352.36718

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(NC(=O)C(=C2S)C#N)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)N2C(NC(=O)C(=C2S)C#N)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H12N4O3S/c18-10-14-16(22)19-15(11-5-4-8-13(9-11)21(23)24)20(17(14)25)12-6-2-1-3-7-12/h1-9,15,25H,(H,19,22)