(5-methyl-2-phenyl-4-phenylsulfanyl-pyrazol-3-yl) 2-(3,4-dimethoxyphenyl)ethanoate

Systemtic Name: (5-methyl-2-phenyl-4-phenylsulfanyl-pyrazol-3-yl) 2-(3,4-dimethoxyphenyl)ethanoate Openeye Name: (5-methyl-2-phenyl-4-phenylsulfanyl-pyrazol-3-yl) 2-(3,4-dimethoxyphenyl)acetate CAS Name: 2-(3,4-dimethoxyphenyl)acetic acid [5-methyl-2-phenyl-4-(phenylthio)-3-pyrazolyl] ester IUPAC Name: (5-methyl-2-phenyl-4-phenylsulfanylpyrazol-3-yl) 2-(3,4-dimethoxyphenyl)acetate Traditional Name: 2-(3,4-dimethoxyphenyl)acetic acid [5-methyl-2-phenyl-4-(phenylthio)pyrazol-3-yl] ester Formula: C26H24N2O4S MolecularWeight: 460.54476

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1SC2=CC=CC=C2)OC(=O)CC3=CC(=C(C=C3)OC)OC)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1SC2=CC=CC=C2)OC(=O)CC3=CC(=C(C=C3)OC)OC)C4=CC=CC=C4

InChI

InChI=1S/C26H24N2O4S/c1-18-25(33-21-12-8-5-9-13-21)26(28(27-18)20-10-6-4-7-11-20)32-24(29)17-19-14-15-22(30-2)23(16-19)31-3/h4-16H,17H2,1-3H3