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

Systemtic Name: (2S)-2-(furan-2-yl)-3-(4-methylphenyl)-6-oxidanylidene-4-sulfanyl-1,2-dihydropyrimidine-5-carbonitrile Openeye Name: (2S)-2-(2-furyl)-6-oxo-3-(p-tolyl)-4-sulfanyl-1,2-dihydropyrimidine-5-carbonitrile CAS Name: (2S)-2-(2-furanyl)-4-mercapto-3-(4-methylphenyl)-6-oxo-1,2-dihydropyrimidine-5-carbonitrile IUPAC Name: (2S)-2-(furan-2-yl)-3-(4-methylphenyl)-6-oxo-4-sulfanyl-1,2-dihydropyrimidine-5-carbonitrile Traditional Name: (2S)-2-(2-furyl)-6-keto-4-mercapto-3-(p-tolyl)-1,2-dihydropyrimidine-5-carbonitrile Formula: C16H13N3O2S MolecularWeight: 311.35832

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(NC(=O)C(=C2S)C#N)C3=CC=CO3

Isomeric SMILES

CC1=CC=C(C=C1)N2[C@H](NC(=O)C(=C2S)C#N)C3=CC=CO3

InChI

InChI=1S/C16H13N3O2S/c1-10-4-6-11(7-5-10)19-14(13-3-2-8-21-13)18-15(20)12(9-17)16(19)22/h2-8,14,22H,1H3,(H,18,20)/t14-/m0/s1