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

Systemtic Name: [4-(4-chlorophenyl)sulfanyl-5-methyl-2-phenyl-pyrazol-3-yl] 4-chloranylbutanoate Openeye Name: [4-(4-chlorophenyl)sulfanyl-5-methyl-2-phenyl-pyrazol-3-yl] 4-chlorobutanoate CAS Name: 4-chlorobutanoic acid [4-[(4-chlorophenyl)thio]-5-methyl-2-phenyl-3-pyrazolyl] ester IUPAC Name: [4-(4-chlorophenyl)sulfanyl-5-methyl-2-phenylpyrazol-3-yl] 4-chlorobutanoate Traditional Name: 4-chlorobutyric acid [4-[(4-chlorophenyl)thio]-5-methyl-2-phenyl-pyrazol-3-yl] ester Formula: C20H18Cl2N2O2S MolecularWeight: 421.34012

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18Cl2N2O2S/c1-14-19(27-17-11-9-15(22)10-12-17)20(26-18(25)8-5-13-21)24(23-14)16-6-3-2-4-7-16/h2-4,6-7,9-12H,5,8,13H2,1H3