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

Systemtic Name: (5-methyl-2-phenyl-4-phenylsulfanyl-pyrazol-3-yl) 2-(4-ethoxyphenyl)ethanoate Openeye Name: (5-methyl-2-phenyl-4-phenylsulfanyl-pyrazol-3-yl) 2-(4-ethoxyphenyl)acetate CAS Name: 2-(4-ethoxyphenyl)acetic acid [5-methyl-2-phenyl-4-(phenylthio)-3-pyrazolyl] ester IUPAC Name: (5-methyl-2-phenyl-4-phenylsulfanylpyrazol-3-yl) 2-(4-ethoxyphenyl)acetate Traditional Name: 2-p-phenetylacetic acid [5-methyl-2-phenyl-4-(phenylthio)pyrazol-3-yl] ester Formula: C26H24N2O3S MolecularWeight: 444.54536

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CC(=O)OC2=C(C(=NN2C3=CC=CC=C3)C)SC4=CC=CC=C4

Isomeric SMILES

CCOC1=CC=C(C=C1)CC(=O)OC2=C(C(=NN2C3=CC=CC=C3)C)SC4=CC=CC=C4

InChI

InChI=1S/C26H24N2O3S/c1-3-30-22-16-14-20(15-17-22)18-24(29)31-26-25(32-23-12-8-5-9-13-23)19(2)27-28(26)21-10-6-4-7-11-21/h4-17H,3,18H2,1-2H3