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

Systemtic Name: 3-(2-methylphenyl)-2-(4-nitrophenyl)-6-oxidanylidene-4-sulfanyl-1,2-dihydropyrimidine-5-carbonitrile Openeye Name: 2-(4-nitrophenyl)-3-(o-tolyl)-6-oxo-4-sulfanyl-1,2-dihydropyrimidine-5-carbonitrile CAS Name: 4-mercapto-3-(2-methylphenyl)-2-(4-nitrophenyl)-6-oxo-1,2-dihydropyrimidine-5-carbonitrile IUPAC Name: 3-(2-methylphenyl)-2-(4-nitrophenyl)-6-oxo-4-sulfanyl-1,2-dihydropyrimidine-5-carbonitrile Traditional Name: 6-keto-4-mercapto-2-(4-nitrophenyl)-3-(o-tolyl)-1,2-dihydropyrimidine-5-carbonitrile Formula: C18H14N4O3S MolecularWeight: 366.39376

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(NC(=O)C(=C2S)C#N)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1N2C(NC(=O)C(=C2S)C#N)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H14N4O3S/c1-11-4-2-3-5-15(11)21-16(20-17(23)14(10-19)18(21)26)12-6-8-13(9-7-12)22(24)25/h2-9,16,26H,1H3,(H,20,23)