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

Systemtic Name: 3-(4-chlorophenyl)-2-[5-(4-methyl-2-nitro-phenyl)furan-2-yl]-6-oxidanylidene-4-sulfanyl-1,2-dihydropyrimidine-5-carbonitrile Openeye Name: 3-(4-chlorophenyl)-2-[5-(4-methyl-2-nitro-phenyl)-2-furyl]-6-oxo-4-sulfanyl-1,2-dihydropyrimidine-5-carbonitrile CAS Name: 3-(4-chlorophenyl)-4-mercapto-2-[5-(4-methyl-2-nitrophenyl)-2-furanyl]-6-oxo-1,2-dihydropyrimidine-5-carbonitrile IUPAC Name: 3-(4-chlorophenyl)-2-[5-(4-methyl-2-nitrophenyl)furan-2-yl]-6-oxo-4-sulfanyl-1,2-dihydropyrimidine-5-carbonitrile Traditional Name: 3-(4-chlorophenyl)-6-keto-4-mercapto-2-[5-(4-methyl-2-nitro-phenyl)-2-furyl]-1,2-dihydropyrimidine-5-carbonitrile Formula: C22H15ClN4O4S MolecularWeight: 466.8969

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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)Cl)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)Cl)S)C#N)[N+](=O)[O-]

InChI

InChI=1S/C22H15ClN4O4S/c1-12-2-7-15(17(10-12)27(29)30)18-8-9-19(31-18)20-25-21(28)16(11-24)22(32)26(20)14-5-3-13(23)4-6-14/h2-10,20,32H,1H3,(H,25,28)