3-[(4-azanyl-5-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzoic acid

Systemtic Name: 3-[(4-azanyl-5-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzoic acid Openeye Name: 3-[(4-amino-5-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzoic acid CAS Name: 3-[[(4-amino-5-methyl-1,2,4-triazol-3-yl)thio]methyl]benzoic acid IUPAC Name: 3-[(4-amino-5-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzoic acid Traditional Name: 3-[[(4-amino-5-methyl-1,2,4-triazol-3-yl)thio]methyl]benzoic acid Formula: C11H12N4O2S MolecularWeight: 264.30358

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1N)SCC2=CC=CC(=C2)C(=O)O

Isomeric SMILES

CC1=NN=C(N1N)SCC2=CC=CC(=C2)C(=O)O

InChI

InChI=1S/C11H12N4O2S/c1-7-13-14-11(15(7)12)18-6-8-3-2-4-9(5-8)10(16)17/h2-5H,6,12H2,1H3,(H,16,17)