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

Systemtic Name: 2-(2,5-dimethoxyphenyl)-3-(3-methylphenyl)-6-oxidanylidene-4-sulfanyl-1,2-dihydropyrimidine-5-carbonitrile Openeye Name: 2-(2,5-dimethoxyphenyl)-3-(m-tolyl)-6-oxo-4-sulfanyl-1,2-dihydropyrimidine-5-carbonitrile CAS Name: 2-(2,5-dimethoxyphenyl)-4-mercapto-3-(3-methylphenyl)-6-oxo-1,2-dihydropyrimidine-5-carbonitrile IUPAC Name: 2-(2,5-dimethoxyphenyl)-3-(3-methylphenyl)-6-oxo-4-sulfanyl-1,2-dihydropyrimidine-5-carbonitrile Traditional Name: 2-(2,5-dimethoxyphenyl)-6-keto-4-mercapto-3-(m-tolyl)-1,2-dihydropyrimidine-5-carbonitrile Formula: C20H19N3O3S MolecularWeight: 381.44816

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(NC(=O)C(=C2S)C#N)C3=C(C=CC(=C3)OC)OC

Isomeric SMILES

CC1=CC(=CC=C1)N2C(NC(=O)C(=C2S)C#N)C3=C(C=CC(=C3)OC)OC

InChI

InChI=1S/C20H19N3O3S/c1-12-5-4-6-13(9-12)23-18(22-19(24)16(11-21)20(23)27)15-10-14(25-2)7-8-17(15)26-3/h4-10,18,27H,1-3H3,(H,22,24)