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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(NC(=O)C(=C2S)C#N)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC=C1)N2C(NC(=O)C(=C2S)C#N)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

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