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

Systemtic Name: 3-(4-methylphenyl)-6-oxidanylidene-4-sulfanyl-2-thiophen-2-yl-1,2-dihydropyrimidine-5-carbonitrile Openeye Name: 6-oxo-3-(p-tolyl)-4-sulfanyl-2-(2-thienyl)-1,2-dihydropyrimidine-5-carbonitrile CAS Name: 4-mercapto-3-(4-methylphenyl)-6-oxo-2-thiophen-2-yl-1,2-dihydropyrimidine-5-carbonitrile IUPAC Name: 3-(4-methylphenyl)-6-oxo-4-sulfanyl-2-thiophen-2-yl-1,2-dihydropyrimidine-5-carbonitrile Traditional Name: 6-keto-4-mercapto-3-(p-tolyl)-2-(2-thienyl)-1,2-dihydropyrimidine-5-carbonitrile Formula: C16H13N3OS2 MolecularWeight: 327.42392

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(NC(=O)C(=C2S)C#N)C3=CC=CS3

Isomeric SMILES

CC1=CC=C(C=C1)N2C(NC(=O)C(=C2S)C#N)C3=CC=CS3

InChI

InChI=1S/C16H13N3OS2/c1-10-4-6-11(7-5-10)19-14(13-3-2-8-22-13)18-15(20)12(9-17)16(19)21/h2-8,14,21H,1H3,(H,18,20)