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

Systemtic Name: 3-[(4-azanyl-5-phenyl-1H-1,2,4-triazol-4-ium-3-yl)sulfanyl]propanoic acid Openeye Name: 3-[(4-amino-5-phenyl-1H-1,2,4-triazol-4-ium-3-yl)sulfanyl]propanoic acid CAS Name: 3-[(4-amino-5-phenyl-1H-1,2,4-triazol-4-ium-3-yl)thio]propanoic acid IUPAC Name: 3-[(4-amino-5-phenyl-1H-1,2,4-triazol-4-ium-3-yl)sulfanyl]propanoic acid Traditional Name: 3-[(4-amino-5-phenyl-1H-1,2,4-triazol-4-ium-3-yl)thio]propionic acid Formula: C11H13N4O2S+ MolecularWeight: 265.31152

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H12N4O2S/c12-15-10(8-4-2-1-3-5-8)13-14-11(15)18-7-6-9(16)17/h1-5H,6-7,12H2,(H,16,17)/p+1