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

Systemtic Name: (2-tert-butyl-5-methyl-4-phenylsulfanyl-pyrazol-3-yl) 4-chloranylbenzoate Openeye Name: (2-tert-butyl-5-methyl-4-phenylsulfanyl-pyrazol-3-yl) 4-chlorobenzoate CAS Name: 4-chlorobenzoic acid [2-tert-butyl-5-methyl-4-(phenylthio)-3-pyrazolyl] ester IUPAC Name: (2-tert-butyl-5-methyl-4-phenylsulfanylpyrazol-3-yl) 4-chlorobenzoate Traditional Name: 4-chlorobenzoic acid [2-tert-butyl-5-methyl-4-(phenylthio)pyrazol-3-yl] ester Formula: C21H21ClN2O2S MolecularWeight: 400.92164

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21ClN2O2S/c1-14-18(27-17-8-6-5-7-9-17)19(24(23-14)21(2,3)4)26-20(25)15-10-12-16(22)13-11-15/h5-13H,1-4H3