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

Systemtic Name: 2-[(4-azanyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzoic acid Openeye Name: 2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzoic acid CAS Name: 2-[[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)thio]methyl]benzoic acid IUPAC Name: 2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzoic acid Traditional Name: 2-[[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)thio]methyl]benzoic acid Formula: C13H14N4O2S MolecularWeight: 290.34086

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NN=C(N2N)SCC3=CC=CC=C3C(=O)O

Isomeric SMILES

C1CC1C2=NN=C(N2N)SCC3=CC=CC=C3C(=O)O

InChI

InChI=1S/C13H14N4O2S/c14-17-11(8-5-6-8)15-16-13(17)20-7-9-3-1-2-4-10(9)12(18)19/h1-4,8H,5-7,14H2,(H,18,19)