3-(4-chlorophenyl)-2-(3,4-dimethoxyphenyl)-6-oxidanylidene-4-sulfanyl-1,2-dihydropyrimidine-5-carbonitrile

Systemtic Name: 3-(4-chlorophenyl)-2-(3,4-dimethoxyphenyl)-6-oxidanylidene-4-sulfanyl-1,2-dihydropyrimidine-5-carbonitrile Openeye Name: 3-(4-chlorophenyl)-2-(3,4-dimethoxyphenyl)-6-oxo-4-sulfanyl-1,2-dihydropyrimidine-5-carbonitrile CAS Name: 3-(4-chlorophenyl)-2-(3,4-dimethoxyphenyl)-4-mercapto-6-oxo-1,2-dihydropyrimidine-5-carbonitrile IUPAC Name: 3-(4-chlorophenyl)-2-(3,4-dimethoxyphenyl)-6-oxo-4-sulfanyl-1,2-dihydropyrimidine-5-carbonitrile Traditional Name: 3-(4-chlorophenyl)-2-(3,4-dimethoxyphenyl)-6-keto-4-mercapto-1,2-dihydropyrimidine-5-carbonitrile Formula: C19H16ClN3O3S MolecularWeight: 401.86664

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H16ClN3O3S/c1-25-15-8-3-11(9-16(15)26-2)17-22-18(24)14(10-21)19(27)23(17)13-6-4-12(20)5-7-13/h3-9,17,27H,1-2H3,(H,22,24)