S-(benzotriazol-1-ylmethyl) ethanethioate

Systemtic Name: S-(benzotriazol-1-ylmethyl) ethanethioate Openeye Name: S-(benzotriazol-1-ylmethyl) ethanethioate CAS Name: ethanethioic acid S-(1-benzotriazolylmethyl) ester IUPAC Name: S-(benzotriazol-1-ylmethyl) ethanethioate Traditional Name: ethanethioic acid S-(benzotriazol-1-ylmethyl) ester Formula: C9H9N3OS MolecularWeight: 207.25226

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCN1C2=CC=CC=C2N=N1

Isomeric SMILES

CC(=O)SCN1C2=CC=CC=C2N=N1

InChI

InChI=1S/C9H9N3OS/c1-7(13)14-6-12-9-5-3-2-4-8(9)10-11-12/h2-5H,6H2,1H3