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

Systemtic Name: 3-(3-methoxyphenyl)-2-[2-(4-nitrophenyl)furan-3-yl]-6-oxidanylidene-4-sulfanyl-1,2-dihydropyrimidine-5-carbonitrile Openeye Name: 3-(3-methoxyphenyl)-2-[2-(4-nitrophenyl)-3-furyl]-6-oxo-4-sulfanyl-1,2-dihydropyrimidine-5-carbonitrile CAS Name: 4-mercapto-3-(3-methoxyphenyl)-2-[2-(4-nitrophenyl)-3-furanyl]-6-oxo-1,2-dihydropyrimidine-5-carbonitrile IUPAC Name: 3-(3-methoxyphenyl)-2-[2-(4-nitrophenyl)furan-3-yl]-6-oxo-4-sulfanyl-1,2-dihydropyrimidine-5-carbonitrile Traditional Name: 6-keto-4-mercapto-3-(3-methoxyphenyl)-2-[2-(4-nitrophenyl)-3-furyl]-1,2-dihydropyrimidine-5-carbonitrile Formula: C22H16N4O5S MolecularWeight: 448.45124

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N2C(NC(=O)C(=C2S)C#N)C3=C(OC=C3)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=CC(=C1)N2C(NC(=O)C(=C2S)C#N)C3=C(OC=C3)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H16N4O5S/c1-30-16-4-2-3-15(11-16)25-20(24-21(27)18(12-23)22(25)32)17-9-10-31-19(17)13-5-7-14(8-6-13)26(28)29/h2-11,20,32H,1H3,(H,24,27)