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

Systemtic Name: 2-[5-(4-methyl-2-nitro-phenyl)furan-2-yl]-6-oxidanylidene-3-phenyl-4-sulfanyl-1,2-dihydropyrimidine-5-carbonitrile Openeye Name: 2-[5-(4-methyl-2-nitro-phenyl)-2-furyl]-6-oxo-3-phenyl-4-sulfanyl-1,2-dihydropyrimidine-5-carbonitrile CAS Name: 4-mercapto-2-[5-(4-methyl-2-nitrophenyl)-2-furanyl]-6-oxo-3-phenyl-1,2-dihydropyrimidine-5-carbonitrile IUPAC Name: 2-[5-(4-methyl-2-nitrophenyl)furan-2-yl]-6-oxo-3-phenyl-4-sulfanyl-1,2-dihydropyrimidine-5-carbonitrile Traditional Name: 6-keto-4-mercapto-2-[5-(4-methyl-2-nitro-phenyl)-2-furyl]-3-phenyl-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)C2=CC=C(O2)C3NC(=O)C(=C(N3C4=CC=CC=C4)S)C#N)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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