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

Systemtic Name: 2-[3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]-3-(2,4-dimethylphenyl)-6-oxidanylidene-4-sulfanyl-1,2-dihydropyrimidine-5-carbonitrile Openeye Name: 2-[3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]-3-(2,4-dimethylphenyl)-6-oxo-4-sulfanyl-1,2-dihydropyrimidine-5-carbonitrile CAS Name: 2-[3-(4-chlorophenyl)-1-phenyl-4-pyrazolyl]-3-(2,4-dimethylphenyl)-4-mercapto-6-oxo-1,2-dihydropyrimidine-5-carbonitrile IUPAC Name: 2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-3-(2,4-dimethylphenyl)-6-oxo-4-sulfanyl-1,2-dihydropyrimidine-5-carbonitrile Traditional Name: 2-[3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]-3-(2,4-dimethylphenyl)-6-keto-4-mercapto-1,2-dihydropyrimidine-5-carbonitrile Formula: C28H22ClN5OS MolecularWeight: 512.02518

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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)C

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)C

InChI

InChI=1S/C28H22ClN5OS/c1-17-8-13-24(18(2)14-17)34-26(31-27(35)22(15-30)28(34)36)23-16-33(21-6-4-3-5-7-21)32-25(23)19-9-11-20(29)12-10-19/h3-14,16,26,36H,1-2H3,(H,31,35)