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

Systemtic Name: 4-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]benzoic acid Openeye Name: 4-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]benzoic acid CAS Name: 4-[[(5-propyl-1H-1,2,4-triazol-3-yl)thio]methyl]benzoic acid IUPAC Name: 4-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]benzoic acid Traditional Name: 4-[[(5-propyl-1H-1,2,4-triazol-3-yl)thio]methyl]benzoic acid Formula: C13H15N3O2S MolecularWeight: 277.3421

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC(=NN1)SCC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CCCC1=NC(=NN1)SCC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C13H15N3O2S/c1-2-3-11-14-13(16-15-11)19-8-9-4-6-10(7-5-9)12(17)18/h4-7H,2-3,8H2,1H3,(H,17,18)(H,14,15,16)