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

Systemtic Name: 2-[4-[[5-(aminomethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]phenyl]ethanoic acid Openeye Name: 2-[4-[[5-(aminomethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]phenyl]acetic acid CAS Name: 2-[4-[[5-(aminomethyl)-4-phenyl-1,2,4-triazol-3-yl]thio]phenyl]acetic acid IUPAC Name: 2-[4-[[5-(aminomethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]phenyl]acetic acid Traditional Name: 2-[4-[[5-(aminomethyl)-4-phenyl-1,2,4-triazol-3-yl]thio]phenyl]acetic acid Formula: C17H16N4O2S MolecularWeight: 340.39954

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN=C2SC3=CC=C(C=C3)CC(=O)O)CN

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=C2SC3=CC=C(C=C3)CC(=O)O)CN

InChI

InChI=1S/C17H16N4O2S/c18-11-15-19-20-17(21(15)13-4-2-1-3-5-13)24-14-8-6-12(7-9-14)10-16(22)23/h1-9H,10-11,18H2,(H,22,23)