2-[[4-(1-phenylethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid

Systemtic Name: 2-[[4-(1-phenylethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[4-(1-phenylethyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid CAS Name: 2-[[4-(1-phenylethyl)-1,2,4-triazol-3-yl]thio]acetic acid IUPAC Name: 2-[[4-(1-phenylethyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid Traditional Name: 2-[[4-(1-phenylethyl)-1,2,4-triazol-3-yl]thio]acetic acid Formula: C12H13N3O2S MolecularWeight: 263.31552

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)N2C=NN=C2SCC(=O)O

Isomeric SMILES

CC(C1=CC=CC=C1)N2C=NN=C2SCC(=O)O

InChI

InChI=1S/C12H13N3O2S/c1-9(10-5-3-2-4-6-10)15-8-13-14-12(15)18-7-11(16)17/h2-6,8-9H,7H2,1H3,(H,16,17)