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

Systemtic Name: (2-tert-butyl-5-methyl-4-phenylsulfanyl-pyrazol-3-yl) ethanoate Openeye Name: (2-tert-butyl-5-methyl-4-phenylsulfanyl-pyrazol-3-yl) acetate CAS Name: acetic acid [2-tert-butyl-5-methyl-4-(phenylthio)-3-pyrazolyl] ester IUPAC Name: (2-tert-butyl-5-methyl-4-phenylsulfanylpyrazol-3-yl) acetate Traditional Name: acetic acid [2-tert-butyl-5-methyl-4-(phenylthio)pyrazol-3-yl] ester Formula: C16H20N2O2S MolecularWeight: 304.4072

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1SC2=CC=CC=C2)OC(=O)C)C(C)(C)C

Isomeric SMILES

CC1=NN(C(=C1SC2=CC=CC=C2)OC(=O)C)C(C)(C)C

InChI

InChI=1S/C16H20N2O2S/c1-11-14(21-13-9-7-6-8-10-13)15(20-12(2)19)18(17-11)16(3,4)5/h6-10H,1-5H3