2-[5-(4-methyl-2-nitro-phenyl)furan-2-yl]-3-(4-methylphenyl)-6-oxidanylidene-4-sulfanyl-1,2-dihydropyrimidine-5-carbonitrile

Systemtic Name: 2-[5-(4-methyl-2-nitro-phenyl)furan-2-yl]-3-(4-methylphenyl)-6-oxidanylidene-4-sulfanyl-1,2-dihydropyrimidine-5-carbonitrile Openeye Name: 2-[5-(4-methyl-2-nitro-phenyl)-2-furyl]-6-oxo-3-(p-tolyl)-4-sulfanyl-1,2-dihydropyrimidine-5-carbonitrile CAS Name: 4-mercapto-2-[5-(4-methyl-2-nitrophenyl)-2-furanyl]-3-(4-methylphenyl)-6-oxo-1,2-dihydropyrimidine-5-carbonitrile IUPAC Name: 2-[5-(4-methyl-2-nitrophenyl)furan-2-yl]-3-(4-methylphenyl)-6-oxo-4-sulfanyl-1,2-dihydropyrimidine-5-carbonitrile Traditional Name: 6-keto-4-mercapto-2-[5-(4-methyl-2-nitro-phenyl)-2-furyl]-3-(p-tolyl)-1,2-dihydropyrimidine-5-carbonitrile Formula: C23H18N4O4S MolecularWeight: 446.47842

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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(O3)C4=C(C=C(C=C4)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)N2C(NC(=O)C(=C2S)C#N)C3=CC=C(O3)C4=C(C=C(C=C4)C)[N+](=O)[O-]

InChI

InChI=1S/C23H18N4O4S/c1-13-3-6-15(7-4-13)26-21(25-22(28)17(12-24)23(26)32)20-10-9-19(31-20)16-8-5-14(2)11-18(16)27(29)30/h3-11,21,32H,1-2H3,(H,25,28)