2-(phenylmethylsulfanyl)-4,5,6,7-tetrahydro-1H-1,3-diazepine hydrobromide

Systemtic Name: 2-(phenylmethylsulfanyl)-4,5,6,7-tetrahydro-1H-1,3-diazepine hydrobromide Openeye Name: 2-benzylsulfanyl-4,5,6,7-tetrahydro-1H-1,3-diazepine hydrobromide CAS Name: 2-(phenylmethylthio)-4,5,6,7-tetrahydro-1H-1,3-diazepine hydrobromide IUPAC Name: 2-benzylsulfanyl-4,5,6,7-tetrahydro-1H-1,3-diazepine hydrobromide Traditional Name: 2-(benzylthio)-4,5,6,7-tetrahydro-1H-1,3-diazepine hydrobromide Formula: C12H17BrN2S MolecularWeight: 301.24578

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN=C(NC1)SCC2=CC=CC=C2.Br

Isomeric SMILES

C1CCN=C(NC1)SCC2=CC=CC=C2.Br

InChI

InChI=1S/C12H16N2S.BrH/c1-2-6-11(7-3-1)10-15-12-13-8-4-5-9-14-12;/h1-3,6-7H,4-5,8-10H2,(H,13,14);1H