2-(benzotriazol-1-ylmethylsulfanyl)-N-(phenylmethyl)ethanamine

Systemtic Name: 2-(benzotriazol-1-ylmethylsulfanyl)-N-(phenylmethyl)ethanamine Openeye Name: 2-(benzotriazol-1-ylmethylsulfanyl)-N-benzyl-ethanamine CAS Name: 2-(1-benzotriazolylmethylthio)-N-(phenylmethyl)ethanamine IUPAC Name: 2-(benzotriazol-1-ylmethylsulfanyl)-N-benzylethanamine Traditional Name: 2-(benzotriazol-1-ylmethylthio)ethyl-benzyl-amine Formula: C16H18N4S MolecularWeight: 298.40592

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNCCSCN2C3=CC=CC=C3N=N2

Isomeric SMILES

C1=CC=C(C=C1)CNCCSCN2C3=CC=CC=C3N=N2

InChI

InChI=1S/C16H18N4S/c1-2-6-14(7-3-1)12-17-10-11-21-13-20-16-9-5-4-8-15(16)18-19-20/h1-9,17H,10-13H2