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

Systemtic Name: (2S)-3-(3-methylphenyl)-6-oxidanylidene-4-sulfanyl-2-thiophen-2-yl-1,2-dihydropyrimidine-5-carbonitrile Openeye Name: (2S)-3-(m-tolyl)-6-oxo-4-sulfanyl-2-(2-thienyl)-1,2-dihydropyrimidine-5-carbonitrile CAS Name: (2S)-4-mercapto-3-(3-methylphenyl)-6-oxo-2-thiophen-2-yl-1,2-dihydropyrimidine-5-carbonitrile IUPAC Name: (2S)-3-(3-methylphenyl)-6-oxo-4-sulfanyl-2-thiophen-2-yl-1,2-dihydropyrimidine-5-carbonitrile Traditional Name: (2S)-6-keto-4-mercapto-3-(m-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(=CC=C1)N2C(NC(=O)C(=C2S)C#N)C3=CC=CS3

Isomeric SMILES

CC1=CC(=CC=C1)N2[C@H](NC(=O)C(=C2S)C#N)C3=CC=CS3

InChI

InChI=1S/C16H13N3OS2/c1-10-4-2-5-11(8-10)19-14(13-6-3-7-22-13)18-15(20)12(9-17)16(19)21/h2-8,14,21H,1H3,(H,18,20)/t14-/m0/s1