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

Systemtic Name: [4-(4-chlorophenyl)sulfanyl-5-methyl-2-phenyl-pyrazol-3-yl] pentanoate Openeye Name: [4-(4-chlorophenyl)sulfanyl-5-methyl-2-phenyl-pyrazol-3-yl] pentanoate CAS Name: pentanoic acid [4-[(4-chlorophenyl)thio]-5-methyl-2-phenyl-3-pyrazolyl] ester IUPAC Name: [4-(4-chlorophenyl)sulfanyl-5-methyl-2-phenylpyrazol-3-yl] pentanoate Traditional Name: valeric acid [4-[(4-chlorophenyl)thio]-5-methyl-2-phenyl-pyrazol-3-yl] ester Formula: C21H21ClN2O2S MolecularWeight: 400.92164

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21ClN2O2S/c1-3-4-10-19(25)26-21-20(27-18-13-11-16(22)12-14-18)15(2)23-24(21)17-8-6-5-7-9-17/h5-9,11-14H,3-4,10H2,1-2H3