6-azido-4-(phenylmethyl)-1,4-thiazepane

Systemtic Name: 6-azido-4-(phenylmethyl)-1,4-thiazepane Openeye Name: 6-azido-4-benzyl-1,4-thiazepane CAS Name: 6-azido-4-(phenylmethyl)-1,4-thiazepane IUPAC Name: 6-azido-4-benzyl-1,4-thiazepane Traditional Name: 6-azido-4-benzyl-1,4-thiazepane Formula: C12H16N4S MolecularWeight: 248.34724

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Descriptors Computed from Structure

Canonical SMILES:

C1CSCC(CN1CC2=CC=CC=C2)N=[N+]=[N-]

Isomeric SMILES

C1CSCC(CN1CC2=CC=CC=C2)N=[N+]=[N-]

InChI

InChI=1S/C12H16N4S/c13-15-14-12-9-16(6-7-17-10-12)8-11-4-2-1-3-5-11/h1-5,12H,6-10H2