3-(2,4-dimethylphenyl)-2-(4-nitrophenyl)-6-oxidanylidene-4-sulfanyl-1,2-dihydropyrimidine-5-carbonitrile

Systemtic Name: 3-(2,4-dimethylphenyl)-2-(4-nitrophenyl)-6-oxidanylidene-4-sulfanyl-1,2-dihydropyrimidine-5-carbonitrile Openeye Name: 3-(2,4-dimethylphenyl)-2-(4-nitrophenyl)-6-oxo-4-sulfanyl-1,2-dihydropyrimidine-5-carbonitrile CAS Name: 3-(2,4-dimethylphenyl)-4-mercapto-2-(4-nitrophenyl)-6-oxo-1,2-dihydropyrimidine-5-carbonitrile IUPAC Name: 3-(2,4-dimethylphenyl)-2-(4-nitrophenyl)-6-oxo-4-sulfanyl-1,2-dihydropyrimidine-5-carbonitrile Traditional Name: 3-(2,4-dimethylphenyl)-6-keto-4-mercapto-2-(4-nitrophenyl)-1,2-dihydropyrimidine-5-carbonitrile Formula: C19H16N4O3S MolecularWeight: 380.42034

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2C(NC(=O)C(=C2S)C#N)C3=CC=C(C=C3)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C=C1)N2C(NC(=O)C(=C2S)C#N)C3=CC=C(C=C3)[N+](=O)[O-])C

InChI

InChI=1S/C19H16N4O3S/c1-11-3-8-16(12(2)9-11)22-17(21-18(24)15(10-20)19(22)27)13-4-6-14(7-5-13)23(25)26/h3-9,17,27H,1-2H3,(H,21,24)