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

Systemtic Name: 2-[[4-(4-dimethylaminophenyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[4-(4-dimethylaminophenyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid CAS Name: 2-[[4-(4-dimethylaminophenyl)-5-methyl-1,2,4-triazol-3-yl]thio]acetic acid IUPAC Name: 2-[[4-(4-dimethylaminophenyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid Traditional Name: 2-[[4-(4-dimethylaminophenyl)-5-methyl-1,2,4-triazol-3-yl]thio]acetic acid Formula: C13H16N4O2S MolecularWeight: 292.35674

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16N4O2S/c1-9-14-15-13(20-8-12(18)19)17(9)11-6-4-10(5-7-11)16(2)3/h4-7H,8H2,1-3H3,(H,18,19)