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

Systemtic Name: (2S)-3-(2-ethylphenyl)-2-(4-nitrophenyl)-6-oxidanylidene-4-sulfanyl-1,2-dihydropyrimidine-5-carbonitrile Openeye Name: (2S)-3-(2-ethylphenyl)-2-(4-nitrophenyl)-6-oxo-4-sulfanyl-1,2-dihydropyrimidine-5-carbonitrile CAS Name: (2S)-3-(2-ethylphenyl)-4-mercapto-2-(4-nitrophenyl)-6-oxo-1,2-dihydropyrimidine-5-carbonitrile IUPAC Name: (2S)-3-(2-ethylphenyl)-2-(4-nitrophenyl)-6-oxo-4-sulfanyl-1,2-dihydropyrimidine-5-carbonitrile Traditional Name: (2S)-3-(2-ethylphenyl)-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:

CCC1=CC=CC=C1N2C(NC(=O)C(=C2S)C#N)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCC1=CC=CC=C1N2[C@H](NC(=O)C(=C2S)C#N)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H16N4O3S/c1-2-12-5-3-4-6-16(12)22-17(21-18(24)15(11-20)19(22)27)13-7-9-14(10-8-13)23(25)26/h3-10,17,27H,2H2,1H3,(H,21,24)/t17-/m0/s1