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

Systemtic Name: 3-(4-methylphenyl)-2-[5-(2-nitrophenyl)furan-2-yl]-6-oxidanylidene-4-sulfanyl-1,2-dihydropyrimidine-5-carbonitrile Openeye Name: 2-[5-(2-nitrophenyl)-2-furyl]-6-oxo-3-(p-tolyl)-4-sulfanyl-1,2-dihydropyrimidine-5-carbonitrile CAS Name: 4-mercapto-3-(4-methylphenyl)-2-[5-(2-nitrophenyl)-2-furanyl]-6-oxo-1,2-dihydropyrimidine-5-carbonitrile IUPAC Name: 3-(4-methylphenyl)-2-[5-(2-nitrophenyl)furan-2-yl]-6-oxo-4-sulfanyl-1,2-dihydropyrimidine-5-carbonitrile Traditional Name: 6-keto-4-mercapto-2-[5-(2-nitrophenyl)-2-furyl]-3-(p-tolyl)-1,2-dihydropyrimidine-5-carbonitrile Formula: C22H16N4O4S MolecularWeight: 432.45184

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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=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C22H16N4O4S/c1-13-6-8-14(9-7-13)25-20(24-21(27)16(12-23)22(25)31)19-11-10-18(30-19)15-4-2-3-5-17(15)26(28)29/h2-11,20,31H,1H3,(H,24,27)