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

Systemtic Name: 2-[3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]-6-oxidanylidene-3-(4-propan-2-ylphenyl)-4-sulfanyl-1,2-dihydropyrimidine-5-carbonitrile Openeye Name: 2-[3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]-3-(4-isopropylphenyl)-6-oxo-4-sulfanyl-1,2-dihydropyrimidine-5-carbonitrile CAS Name: 2-[3-(4-chlorophenyl)-1-phenyl-4-pyrazolyl]-4-mercapto-6-oxo-3-(4-propan-2-ylphenyl)-1,2-dihydropyrimidine-5-carbonitrile IUPAC Name: 2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-6-oxo-3-(4-propan-2-ylphenyl)-4-sulfanyl-1,2-dihydropyrimidine-5-carbonitrile Traditional Name: 2-[3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]-6-keto-4-mercapto-3-p-cumenyl-1,2-dihydropyrimidine-5-carbonitrile Formula: C29H24ClN5OS MolecularWeight: 526.05176

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=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

CC(C)C1=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/C29H24ClN5OS/c1-18(2)19-10-14-23(15-11-19)35-27(32-28(36)24(16-31)29(35)37)25-17-34(22-6-4-3-5-7-22)33-26(25)20-8-12-21(30)13-9-20/h3-15,17-18,27,37H,1-2H3,(H,32,36)