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

Systemtic Name: 2-(4-methoxyphenyl)-6-oxidanylidene-3-phenyl-4-sulfanyl-1,2-dihydropyrimidine-5-carbonitrile Openeye Name: 2-(4-methoxyphenyl)-6-oxo-3-phenyl-4-sulfanyl-1,2-dihydropyrimidine-5-carbonitrile CAS Name: 4-mercapto-2-(4-methoxyphenyl)-6-oxo-3-phenyl-1,2-dihydropyrimidine-5-carbonitrile IUPAC Name: 2-(4-methoxyphenyl)-6-oxo-3-phenyl-4-sulfanyl-1,2-dihydropyrimidine-5-carbonitrile Traditional Name: 6-keto-4-mercapto-2-(4-methoxyphenyl)-3-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)C2NC(=O)C(=C(N2C3=CC=CC=C3)S)C#N

Isomeric SMILES

COC1=CC=C(C=C1)C2NC(=O)C(=C(N2C3=CC=CC=C3)S)C#N

InChI

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