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

Systemtic Name: 2-(4-nitrophenyl)-6-oxidanylidene-3-(4-propan-2-ylphenyl)-4-sulfanyl-1,2-dihydropyrimidine-5-carbonitrile Openeye Name: 3-(4-isopropylphenyl)-2-(4-nitrophenyl)-6-oxo-4-sulfanyl-1,2-dihydropyrimidine-5-carbonitrile CAS Name: 4-mercapto-2-(4-nitrophenyl)-6-oxo-3-(4-propan-2-ylphenyl)-1,2-dihydropyrimidine-5-carbonitrile IUPAC Name: 2-(4-nitrophenyl)-6-oxo-3-(4-propan-2-ylphenyl)-4-sulfanyl-1,2-dihydropyrimidine-5-carbonitrile Traditional Name: 6-keto-4-mercapto-2-(4-nitrophenyl)-3-p-cumenyl-1,2-dihydropyrimidine-5-carbonitrile Formula: C20H18N4O3S MolecularWeight: 394.44692

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18N4O3S/c1-12(2)13-3-7-15(8-4-13)23-18(22-19(25)17(11-21)20(23)28)14-5-9-16(10-6-14)24(26)27/h3-10,12,18,28H,1-2H3,(H,22,25)