2-[[4-(3-chloranyl-4-methoxy-phenyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid

Systemtic Name: 2-[[4-(3-chloranyl-4-methoxy-phenyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[4-(3-chloro-4-methoxy-phenyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid CAS Name: 2-[[4-(3-chloro-4-methoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]thio]acetic acid IUPAC Name: 2-[[4-(3-chloro-4-methoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid Traditional Name: 2-[[4-(3-chloro-4-methoxy-phenyl)-5-methyl-1,2,4-triazol-3-yl]thio]acetic acid Formula: C12H12ClN3O3S MolecularWeight: 313.75998

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12ClN3O3S/c1-7-14-15-12(20-6-11(17)18)16(7)8-3-4-10(19-2)9(13)5-8/h3-5H,6H2,1-2H3,(H,17,18)