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

Systemtic Name: 3-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]benzoic acid Openeye Name: 3-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]benzoic acid CAS Name: 3-[[(5-methyl-1H-1,2,4-triazol-3-yl)thio]methyl]benzoic acid IUPAC Name: 3-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]benzoic acid Traditional Name: 3-[[(5-methyl-1H-1,2,4-triazol-3-yl)thio]methyl]benzoic acid Formula: C11H11N3O2S MolecularWeight: 249.28894

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NN1)SCC2=CC=CC(=C2)C(=O)O

Isomeric SMILES

CC1=NC(=NN1)SCC2=CC=CC(=C2)C(=O)O

InChI

InChI=1S/C11H11N3O2S/c1-7-12-11(14-13-7)17-6-8-3-2-4-9(5-8)10(15)16/h2-5H,6H2,1H3,(H,15,16)(H,12,13,14)