methyl 2-[[4-(3-chlorophenyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]propanoate

Systemtic Name: methyl 2-[[4-(3-chlorophenyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]propanoate Openeye Name: methyl 2-[[4-(3-chlorophenyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]propanoate CAS Name: 2-[[4-(3-chlorophenyl)-5-methyl-1,2,4-triazol-3-yl]thio]propanoic acid methyl ester IUPAC Name: methyl 2-[[4-(3-chlorophenyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]propanoate Traditional Name: 2-[[4-(3-chlorophenyl)-5-methyl-1,2,4-triazol-3-yl]thio]propionic acid methyl ester Formula: C13H14ClN3O2S MolecularWeight: 311.78716

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C2=CC(=CC=C2)Cl)SC(C)C(=O)OC

Isomeric SMILES

CC1=NN=C(N1C2=CC(=CC=C2)Cl)SC(C)C(=O)OC

InChI

InChI=1S/C13H14ClN3O2S/c1-8(12(18)19-3)20-13-16-15-9(2)17(13)11-6-4-5-10(14)7-11/h4-8H,1-3H3