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

Systemtic Name: [4-(4-chlorophenyl)sulfanyl-5-methyl-2-phenyl-pyrazol-3-yl] butanoate Openeye Name: [4-(4-chlorophenyl)sulfanyl-5-methyl-2-phenyl-pyrazol-3-yl] butanoate CAS Name: butanoic acid [4-[(4-chlorophenyl)thio]-5-methyl-2-phenyl-3-pyrazolyl] ester IUPAC Name: [4-(4-chlorophenyl)sulfanyl-5-methyl-2-phenylpyrazol-3-yl] butanoate Traditional Name: butyric acid [4-[(4-chlorophenyl)thio]-5-methyl-2-phenyl-pyrazol-3-yl] ester Formula: C20H19ClN2O2S MolecularWeight: 386.89506

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OC1=C(C(=NN1C2=CC=CC=C2)C)SC3=CC=C(C=C3)Cl

Isomeric SMILES

CCCC(=O)OC1=C(C(=NN1C2=CC=CC=C2)C)SC3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H19ClN2O2S/c1-3-7-18(24)25-20-19(26-17-12-10-15(21)11-13-17)14(2)22-23(20)16-8-5-4-6-9-16/h4-6,8-13H,3,7H2,1-2H3