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

Systemtic Name: 3-(4-methoxyphenyl)-2-[5-(4-methyl-2-nitro-phenyl)furan-2-yl]-6-oxidanylidene-4-sulfanyl-1,2-dihydropyrimidine-5-carbonitrile Openeye Name: 3-(4-methoxyphenyl)-2-[5-(4-methyl-2-nitro-phenyl)-2-furyl]-6-oxo-4-sulfanyl-1,2-dihydropyrimidine-5-carbonitrile CAS Name: 4-mercapto-3-(4-methoxyphenyl)-2-[5-(4-methyl-2-nitrophenyl)-2-furanyl]-6-oxo-1,2-dihydropyrimidine-5-carbonitrile IUPAC Name: 3-(4-methoxyphenyl)-2-[5-(4-methyl-2-nitrophenyl)furan-2-yl]-6-oxo-4-sulfanyl-1,2-dihydropyrimidine-5-carbonitrile Traditional Name: 6-keto-4-mercapto-3-(4-methoxyphenyl)-2-[5-(4-methyl-2-nitro-phenyl)-2-furyl]-1,2-dihydropyrimidine-5-carbonitrile Formula: C23H18N4O5S MolecularWeight: 462.47782

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C2=CC=C(O2)C3NC(=O)C(=C(N3C4=CC=C(C=C4)OC)S)C#N)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)C2=CC=C(O2)C3NC(=O)C(=C(N3C4=CC=C(C=C4)OC)S)C#N)[N+](=O)[O-]

InChI

InChI=1S/C23H18N4O5S/c1-13-3-8-16(18(11-13)27(29)30)19-9-10-20(32-19)21-25-22(28)17(12-24)23(33)26(21)14-4-6-15(31-2)7-5-14/h3-11,21,33H,1-2H3,(H,25,28)