2-[3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]-3-(4-methylphenyl)-6-oxidanylidene-4-sulfanyl-1,2-dihydropyrimidine-5-carbonitrile

Systemtic Name: 2-[3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]-3-(4-methylphenyl)-6-oxidanylidene-4-sulfanyl-1,2-dihydropyrimidine-5-carbonitrile Openeye Name: 2-[3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]-6-oxo-3-(p-tolyl)-4-sulfanyl-1,2-dihydropyrimidine-5-carbonitrile CAS Name: 2-[3-(4-chlorophenyl)-1-phenyl-4-pyrazolyl]-4-mercapto-3-(4-methylphenyl)-6-oxo-1,2-dihydropyrimidine-5-carbonitrile IUPAC Name: 2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-3-(4-methylphenyl)-6-oxo-4-sulfanyl-1,2-dihydropyrimidine-5-carbonitrile Traditional Name: 2-[3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]-6-keto-4-mercapto-3-(p-tolyl)-1,2-dihydropyrimidine-5-carbonitrile Formula: C27H20ClN5OS MolecularWeight: 497.9986

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(NC(=O)C(=C2S)C#N)C3=CN(N=C3C4=CC=C(C=C4)Cl)C5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)N2C(NC(=O)C(=C2S)C#N)C3=CN(N=C3C4=CC=C(C=C4)Cl)C5=CC=CC=C5

InChI

InChI=1S/C27H20ClN5OS/c1-17-7-13-21(14-8-17)33-25(30-26(34)22(15-29)27(33)35)23-16-32(20-5-3-2-4-6-20)31-24(23)18-9-11-19(28)12-10-18/h2-14,16,25,35H,1H3,(H,30,34)