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

Systemtic Name: 2-[[4-(4-methoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[4-(4-methoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid CAS Name: 2-[[4-(4-methoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]thio]acetic acid IUPAC Name: 2-[[4-(4-methoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid Traditional Name: 2-[[4-(4-methoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]thio]acetic acid Formula: C12H13N3O3S MolecularWeight: 279.31492

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13N3O3S/c1-8-13-14-12(19-7-11(16)17)15(8)9-3-5-10(18-2)6-4-9/h3-6H,7H2,1-2H3,(H,16,17)