2-[[4,5-bis(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid

Systemtic Name: 2-[[4,5-bis(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid Openeye Name: 2-[(4,5-dibenzyl-1,2,4-triazol-3-yl)sulfanyl]acetic acid CAS Name: 2-[[4,5-bis(phenylmethyl)-1,2,4-triazol-3-yl]thio]acetic acid IUPAC Name: 2-[(4,5-dibenzyl-1,2,4-triazol-3-yl)sulfanyl]acetic acid Traditional Name: 2-[(4,5-dibenzyl-1,2,4-triazol-3-yl)thio]acetic acid Formula: C18H17N3O2S MolecularWeight: 339.41148

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=NN=C(N2CC3=CC=CC=C3)SCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CC2=NN=C(N2CC3=CC=CC=C3)SCC(=O)O

InChI

InChI=1S/C18H17N3O2S/c22-17(23)13-24-18-20-19-16(11-14-7-3-1-4-8-14)21(18)12-15-9-5-2-6-10-15/h1-10H,11-13H2,(H,22,23)