(1-methylpyrazol-4-yl)methyl 2-(4-chlorophenyl)sulfanylethanoate

Systemtic Name: (1-methylpyrazol-4-yl)methyl 2-(4-chlorophenyl)sulfanylethanoate Openeye Name: (1-methylpyrazol-4-yl)methyl 2-(4-chlorophenyl)sulfanylacetate CAS Name: 2-[(4-chlorophenyl)thio]acetic acid (1-methyl-4-pyrazolyl)methyl ester IUPAC Name: (1-methylpyrazol-4-yl)methyl 2-(4-chlorophenyl)sulfanylacetate Traditional Name: 2-[(4-chlorophenyl)thio]acetic acid (1-methylpyrazol-4-yl)methyl ester Formula: C13H13ClN2O2S MolecularWeight: 296.77252

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)COC(=O)CSC2=CC=C(C=C2)Cl

Isomeric SMILES

CN1C=C(C=N1)COC(=O)CSC2=CC=C(C=C2)Cl

InChI

InChI=1S/C13H13ClN2O2S/c1-16-7-10(6-15-16)8-18-13(17)9-19-12-4-2-11(14)3-5-12/h2-7H,8-9H2,1H3