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

Systemtic Name: 3-[(4-azanyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzoic acid Openeye Name: 3-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzoic acid CAS Name: 3-[[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)thio]methyl]benzoic acid IUPAC Name: 3-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzoic acid Traditional Name: 3-[[(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(=C3)C(=O)O

Isomeric SMILES

C1CC1C2=NN=C(N2N)SCC3=CC=CC(=C3)C(=O)O

InChI

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