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

Systemtic Name: (5-methyl-2-phenyl-4-phenylsulfanyl-pyrazol-3-yl) 2-(4-methoxyphenyl)ethanoate Openeye Name: (5-methyl-2-phenyl-4-phenylsulfanyl-pyrazol-3-yl) 2-(4-methoxyphenyl)acetate CAS Name: 2-(4-methoxyphenyl)acetic acid [5-methyl-2-phenyl-4-(phenylthio)-3-pyrazolyl] ester IUPAC Name: (5-methyl-2-phenyl-4-phenylsulfanylpyrazol-3-yl) 2-(4-methoxyphenyl)acetate Traditional Name: 2-(4-methoxyphenyl)acetic acid [5-methyl-2-phenyl-4-(phenylthio)pyrazol-3-yl] ester Formula: C25H22N2O3S MolecularWeight: 430.51878

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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)C4=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C25H22N2O3S/c1-18-24(31-22-11-7-4-8-12-22)25(27(26-18)20-9-5-3-6-10-20)30-23(28)17-19-13-15-21(29-2)16-14-19/h3-16H,17H2,1-2H3