[4-(4-chlorophenyl)sulfanyl-5-methyl-2-phenyl-pyrazol-3-yl] 3-phenylpropanoate

Systemtic Name: [4-(4-chlorophenyl)sulfanyl-5-methyl-2-phenyl-pyrazol-3-yl] 3-phenylpropanoate Openeye Name: [4-(4-chlorophenyl)sulfanyl-5-methyl-2-phenyl-pyrazol-3-yl] 3-phenylpropanoate CAS Name: 3-phenylpropanoic acid [4-[(4-chlorophenyl)thio]-5-methyl-2-phenyl-3-pyrazolyl] ester IUPAC Name: [4-(4-chlorophenyl)sulfanyl-5-methyl-2-phenylpyrazol-3-yl] 3-phenylpropanoate Traditional Name: 3-phenylpropionic acid [4-[(4-chlorophenyl)thio]-5-methyl-2-phenyl-pyrazol-3-yl] ester Formula: C25H21ClN2O2S MolecularWeight: 448.96444

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1SC2=CC=C(C=C2)Cl)OC(=O)CCC3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1SC2=CC=C(C=C2)Cl)OC(=O)CCC3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C25H21ClN2O2S/c1-18-24(31-22-15-13-20(26)14-16-22)25(28(27-18)21-10-6-3-7-11-21)30-23(29)17-12-19-8-4-2-5-9-19/h2-11,13-16H,12,17H2,1H3