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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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