ethyl 2-[4-(3-chlorophenyl)sulfanyl-5-methyl-3-propan-2-yl-pyrazol-1-yl]ethanoate

Systemtic Name: ethyl 2-[4-(3-chlorophenyl)sulfanyl-5-methyl-3-propan-2-yl-pyrazol-1-yl]ethanoate Openeye Name: ethyl 2-[4-(3-chlorophenyl)sulfanyl-3-isopropyl-5-methyl-pyrazol-1-yl]acetate CAS Name: 2-[4-[(3-chlorophenyl)thio]-5-methyl-3-propan-2-yl-1-pyrazolyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-(3-chlorophenyl)sulfanyl-5-methyl-3-propan-2-ylpyrazol-1-yl]acetate Traditional Name: 2-[4-[(3-chlorophenyl)thio]-3-isopropyl-5-methyl-pyrazol-1-yl]acetic acid ethyl ester Formula: C17H21ClN2O2S MolecularWeight: 352.87884

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C(=C(C(=N1)C(C)C)SC2=CC(=CC=C2)Cl)C

Isomeric SMILES

CCOC(=O)CN1C(=C(C(=N1)C(C)C)SC2=CC(=CC=C2)Cl)C

InChI

InChI=1S/C17H21ClN2O2S/c1-5-22-15(21)10-20-12(4)17(16(19-20)11(2)3)23-14-8-6-7-13(18)9-14/h6-9,11H,5,10H2,1-4H3