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

Systemtic Name: 3-(4-methoxyphenyl)-2-(4-nitrophenyl)-6-oxidanylidene-4-sulfanyl-1,2-dihydropyrimidine-5-carbonitrile Openeye Name: 3-(4-methoxyphenyl)-2-(4-nitrophenyl)-6-oxo-4-sulfanyl-1,2-dihydropyrimidine-5-carbonitrile CAS Name: 4-mercapto-3-(4-methoxyphenyl)-2-(4-nitrophenyl)-6-oxo-1,2-dihydropyrimidine-5-carbonitrile IUPAC Name: 3-(4-methoxyphenyl)-2-(4-nitrophenyl)-6-oxo-4-sulfanyl-1,2-dihydropyrimidine-5-carbonitrile Traditional Name: 6-keto-4-mercapto-3-(4-methoxyphenyl)-2-(4-nitrophenyl)-1,2-dihydropyrimidine-5-carbonitrile Formula: C18H14N4O4S MolecularWeight: 382.39316

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(NC(=O)C(=C2S)C#N)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)N2C(NC(=O)C(=C2S)C#N)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H14N4O4S/c1-26-14-8-6-12(7-9-14)21-16(20-17(23)15(10-19)18(21)27)11-2-4-13(5-3-11)22(24)25/h2-9,16,27H,1H3,(H,20,23)