1-[2-(phenylmethylsulfanyl)ethyl]-1,2,3-triazole-4-carboxylic acid

Systemtic Name: 1-[2-(phenylmethylsulfanyl)ethyl]-1,2,3-triazole-4-carboxylic acid Openeye Name: 1-(2-benzylsulfanylethyl)triazole-4-carboxylic acid CAS Name: 1-[2-(phenylmethylthio)ethyl]-4-triazolecarboxylic acid IUPAC Name: 1-(2-benzylsulfanylethyl)triazole-4-carboxylic acid Traditional Name: 1-[2-(benzylthio)ethyl]triazole-4-carboxylic acid Formula: C12H13N3O2S MolecularWeight: 263.31552

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSCCN2C=C(N=N2)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CSCCN2C=C(N=N2)C(=O)O

InChI

InChI=1S/C12H13N3O2S/c16-12(17)11-8-15(14-13-11)6-7-18-9-10-4-2-1-3-5-10/h1-5,8H,6-7,9H2,(H,16,17)