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

Systemtic Name: 2-[(5-methyl-4-phenethyl-1,2,4-triazol-3-yl)sulfanyl]ethanoic acid Openeye Name: 2-[(5-methyl-4-phenethyl-1,2,4-triazol-3-yl)sulfanyl]acetic acid CAS Name: 2-[(5-methyl-4-phenethyl-1,2,4-triazol-3-yl)thio]acetic acid IUPAC Name: 2-[(5-methyl-4-phenethyl-1,2,4-triazol-3-yl)sulfanyl]acetic acid Traditional Name: 2-[(5-methyl-4-phenethyl-1,2,4-triazol-3-yl)thio]acetic acid Formula: C13H15N3O2S MolecularWeight: 277.3421

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1CCC2=CC=CC=C2)SCC(=O)O

Isomeric SMILES

CC1=NN=C(N1CCC2=CC=CC=C2)SCC(=O)O

InChI

InChI=1S/C13H15N3O2S/c1-10-14-15-13(19-9-12(17)18)16(10)8-7-11-5-3-2-4-6-11/h2-6H,7-9H2,1H3,(H,17,18)