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

Systemtic Name: 2-[(4-azanyl-5-phenethyl-1,2,4-triazol-3-yl)sulfanyl]ethanoic acid Openeye Name: 2-[(4-amino-5-phenethyl-1,2,4-triazol-3-yl)sulfanyl]acetic acid CAS Name: 2-[(4-amino-5-phenethyl-1,2,4-triazol-3-yl)thio]acetic acid IUPAC Name: 2-[(4-amino-5-phenethyl-1,2,4-triazol-3-yl)sulfanyl]acetic acid Traditional Name: 2-[(4-amino-5-phenethyl-1,2,4-triazol-3-yl)thio]acetic acid Formula: C12H14N4O2S MolecularWeight: 278.33016

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC2=NN=C(N2N)SCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CCC2=NN=C(N2N)SCC(=O)O

InChI

InChI=1S/C12H14N4O2S/c13-16-10(7-6-9-4-2-1-3-5-9)14-15-12(16)19-8-11(17)18/h1-5H,6-8,13H2,(H,17,18)