[5-methyl-4-(4-methylphenyl)sulfanyl-2-phenyl-pyrazol-3-yl] 3-phenylprop-2-enoate

Systemtic Name: [5-methyl-4-(4-methylphenyl)sulfanyl-2-phenyl-pyrazol-3-yl] 3-phenylprop-2-enoate Openeye Name: [5-methyl-2-phenyl-4-(p-tolylsulfanyl)pyrazol-3-yl] 3-phenylprop-2-enoate CAS Name: 3-phenyl-2-propenoic acid [5-methyl-4-[(4-methylphenyl)thio]-2-phenyl-3-pyrazolyl] ester IUPAC Name: [5-methyl-4-(4-methylphenyl)sulfanyl-2-phenylpyrazol-3-yl] 3-phenylprop-2-enoate Traditional Name: 3-phenylacrylic acid [5-methyl-2-phenyl-4-(p-tolylthio)pyrazol-3-yl] ester Formula: C26H22N2O2S MolecularWeight: 426.53008

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=C(N(N=C2C)C3=CC=CC=C3)OC(=O)C=CC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)SC2=C(N(N=C2C)C3=CC=CC=C3)OC(=O)C=CC4=CC=CC=C4

InChI

InChI=1S/C26H22N2O2S/c1-19-13-16-23(17-14-19)31-25-20(2)27-28(22-11-7-4-8-12-22)26(25)30-24(29)18-15-21-9-5-3-6-10-21/h3-18H,1-2H3