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

Systemtic Name: 4-[(4-azanyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]benzoic acid Openeye Name: 4-[(4-amino-5-isopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzoic acid CAS Name: 4-[[(4-amino-5-propan-2-yl-1,2,4-triazol-3-yl)thio]methyl]benzoic acid IUPAC Name: 4-[(4-amino-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]benzoic acid Traditional Name: 4-[[(4-amino-5-isopropyl-1,2,4-triazol-3-yl)thio]methyl]benzoic acid Formula: C13H16N4O2S MolecularWeight: 292.35674

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NN=C(N1N)SCC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CC(C)C1=NN=C(N1N)SCC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C13H16N4O2S/c1-8(2)11-15-16-13(17(11)14)20-7-9-3-5-10(6-4-9)12(18)19/h3-6,8H,7,14H2,1-2H3,(H,18,19)