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

Systemtic Name: 2-[(4-azanyl-5-phenyl-1H-1,2,4-triazol-4-ium-3-yl)sulfanyl]ethanoic acid Openeye Name: 2-[(4-amino-5-phenyl-1H-1,2,4-triazol-4-ium-3-yl)sulfanyl]acetic acid CAS Name: 2-[(4-amino-5-phenyl-1H-1,2,4-triazol-4-ium-3-yl)thio]acetic acid IUPAC Name: 2-[(4-amino-5-phenyl-1H-1,2,4-triazol-4-ium-3-yl)sulfanyl]acetic acid Traditional Name: 2-[(4-amino-5-phenyl-1H-1,2,4-triazol-4-ium-3-yl)thio]acetic acid Formula: C10H11N4O2S+ MolecularWeight: 251.28494

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=[N+](C(=NN2)SCC(=O)O)N

Isomeric SMILES

C1=CC=C(C=C1)C2=[N+](C(=NN2)SCC(=O)O)N

InChI

InChI=1S/C10H10N4O2S/c11-14-9(7-4-2-1-3-5-7)12-13-10(14)17-6-8(15)16/h1-5H,6,11H2,(H,15,16)/p+1