2-(benzotriazol-1-ylmethylsulfanyl)ethanoic acid

Systemtic Name: 2-(benzotriazol-1-ylmethylsulfanyl)ethanoic acid Openeye Name: 2-(benzotriazol-1-ylmethylsulfanyl)acetic acid CAS Name: 2-(1-benzotriazolylmethylthio)acetic acid IUPAC Name: 2-(benzotriazol-1-ylmethylsulfanyl)acetic acid Traditional Name: 2-(benzotriazol-1-ylmethylthio)acetic acid Formula: C9H9N3O2S MolecularWeight: 223.25166

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=NN2CSCC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)N=NN2CSCC(=O)O

InChI

InChI=1S/C9H9N3O2S/c13-9(14)5-15-6-12-8-4-2-1-3-7(8)10-11-12/h1-4H,5-6H2,(H,13,14)