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

Systemtic Name: 3-[[4-azanyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzoic acid Openeye Name: 3-[[4-amino-5-(2-thienylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzoic acid CAS Name: 3-[[[4-amino-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]thio]methyl]benzoic acid IUPAC Name: 3-[[4-amino-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzoic acid Traditional Name: 3-[[[4-amino-5-(2-thenyl)-1,2,4-triazol-3-yl]thio]methyl]benzoic acid Formula: C15H14N4O2S2 MolecularWeight: 346.42726

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)CSC2=NN=C(N2N)CC3=CC=CS3)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)CSC2=NN=C(N2N)CC3=CC=CS3)C(=O)O

InChI

InChI=1S/C15H14N4O2S2/c16-19-13(8-12-5-2-6-22-12)17-18-15(19)23-9-10-3-1-4-11(7-10)14(20)21/h1-7H,8-9,16H2,(H,20,21)