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

Systemtic Name: 2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]benzoic acid Openeye Name: 2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]benzoic acid CAS Name: 2-[[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)thio]methyl]benzoic acid IUPAC Name: 2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]benzoic acid Traditional Name: 2-[[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)thio]methyl]benzoic acid Formula: C13H13N3O2S MolecularWeight: 275.32622

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NC(=NN2)SCC3=CC=CC=C3C(=O)O

Isomeric SMILES

C1CC1C2=NC(=NN2)SCC3=CC=CC=C3C(=O)O

InChI

InChI=1S/C13H13N3O2S/c17-12(18)10-4-2-1-3-9(10)7-19-13-14-11(15-16-13)8-5-6-8/h1-4,8H,5-7H2,(H,17,18)(H,14,15,16)