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

Systemtic Name: (2-tert-butyl-5-methyl-4-phenylsulfanyl-pyrazol-3-yl) 2-(4-ethoxyphenyl)ethanoate Openeye Name: (2-tert-butyl-5-methyl-4-phenylsulfanyl-pyrazol-3-yl) 2-(4-ethoxyphenyl)acetate CAS Name: 2-(4-ethoxyphenyl)acetic acid [2-tert-butyl-5-methyl-4-(phenylthio)-3-pyrazolyl] ester IUPAC Name: (2-tert-butyl-5-methyl-4-phenylsulfanylpyrazol-3-yl) 2-(4-ethoxyphenyl)acetate Traditional Name: 2-p-phenetylacetic acid [2-tert-butyl-5-methyl-4-(phenylthio)pyrazol-3-yl] ester Formula: C24H28N2O3S MolecularWeight: 424.55572

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CC(=O)OC2=C(C(=NN2C(C)(C)C)C)SC3=CC=CC=C3

Isomeric SMILES

CCOC1=CC=C(C=C1)CC(=O)OC2=C(C(=NN2C(C)(C)C)C)SC3=CC=CC=C3

InChI

InChI=1S/C24H28N2O3S/c1-6-28-19-14-12-18(13-15-19)16-21(27)29-23-22(30-20-10-8-7-9-11-20)17(2)25-26(23)24(3,4)5/h7-15H,6,16H2,1-5H3