9-bromanyl-2,3,4,5-tetrahydro-1-benzothiepin-5-amine

Systemtic Name: 9-bromanyl-2,3,4,5-tetrahydro-1-benzothiepin-5-amine Openeye Name: 9-bromo-2,3,4,5-tetrahydro-1-benzothiepin-5-amine CAS Name: 9-bromo-2,3,4,5-tetrahydro-1-benzothiepin-5-amine IUPAC Name: 9-bromo-2,3,4,5-tetrahydro-1-benzothiepin-5-amine Traditional Name: (9-bromo-2,3,4,5-tetrahydro-1-benzothiepin-5-yl)amine Formula: C10H12BrNS MolecularWeight: 258.17798

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C2=C(C(=CC=C2)Br)SC1)N

Isomeric SMILES

C1CC(C2=C(C(=CC=C2)Br)SC1)N

InChI

InChI=1S/C10H12BrNS/c11-8-4-1-3-7-9(12)5-2-6-13-10(7)8/h1,3-4,9H,2,5-6,12H2