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

Systemtic Name: 3-(2,5-dimethylphenyl)-2-[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]-6-oxidanylidene-4-sulfanyl-1,2-dihydropyrimidine-5-carbonitrile Openeye Name: 3-(2,5-dimethylphenyl)-2-[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]-6-oxo-4-sulfanyl-1,2-dihydropyrimidine-5-carbonitrile CAS Name: 3-(2,5-dimethylphenyl)-4-mercapto-2-[3-(4-methoxyphenyl)-1-phenyl-4-pyrazolyl]-6-oxo-1,2-dihydropyrimidine-5-carbonitrile IUPAC Name: 3-(2,5-dimethylphenyl)-2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-6-oxo-4-sulfanyl-1,2-dihydropyrimidine-5-carbonitrile Traditional Name: 3-(2,5-dimethylphenyl)-6-keto-4-mercapto-2-[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]-1,2-dihydropyrimidine-5-carbonitrile Formula: C29H25N5O2S MolecularWeight: 507.6061

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H25N5O2S/c1-18-9-10-19(2)25(15-18)34-27(31-28(35)23(16-30)29(34)37)24-17-33(21-7-5-4-6-8-21)32-26(24)20-11-13-22(36-3)14-12-20/h4-15,17,27,37H,1-3H3,(H,31,35)