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

Systemtic Name: 3-(4-methoxyphenyl)-6-oxidanylidene-2-phenyl-4-sulfanyl-1,2-dihydropyrimidine-5-carbonitrile Openeye Name: 3-(4-methoxyphenyl)-6-oxo-2-phenyl-4-sulfanyl-1,2-dihydropyrimidine-5-carbonitrile CAS Name: 4-mercapto-3-(4-methoxyphenyl)-6-oxo-2-phenyl-1,2-dihydropyrimidine-5-carbonitrile IUPAC Name: 3-(4-methoxyphenyl)-6-oxo-2-phenyl-4-sulfanyl-1,2-dihydropyrimidine-5-carbonitrile Traditional Name: 6-keto-4-mercapto-3-(4-methoxyphenyl)-2-phenyl-1,2-dihydropyrimidine-5-carbonitrile Formula: C18H15N3O2S MolecularWeight: 337.3956

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(NC(=O)C(=C2S)C#N)C3=CC=CC=C3

Isomeric SMILES

COC1=CC=C(C=C1)N2C(NC(=O)C(=C2S)C#N)C3=CC=CC=C3

InChI

InChI=1S/C18H15N3O2S/c1-23-14-9-7-13(8-10-14)21-16(12-5-3-2-4-6-12)20-17(22)15(11-19)18(21)24/h2-10,16,24H,1H3,(H,20,22)