8-bromanyl-N-(3-methylsulfanylphenyl)-2,3,4,5-tetrahydro-1-benzoxepin-5-amine

Systemtic Name: 8-bromanyl-N-(3-methylsulfanylphenyl)-2,3,4,5-tetrahydro-1-benzoxepin-5-amine Openeye Name: 8-bromo-N-(3-methylsulfanylphenyl)-2,3,4,5-tetrahydro-1-benzoxepin-5-amine CAS Name: 8-bromo-N-[3-(methylthio)phenyl]-2,3,4,5-tetrahydro-1-benzoxepin-5-amine IUPAC Name: 8-bromo-N-(3-methylsulfanylphenyl)-2,3,4,5-tetrahydro-1-benzoxepin-5-amine Traditional Name: (8-bromo-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)-[3-(methylthio)phenyl]amine Formula: C17H18BrNOS MolecularWeight: 364.29992

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)NC2CCCOC3=C2C=CC(=C3)Br

Isomeric SMILES

CSC1=CC=CC(=C1)NC2CCCOC3=C2C=CC(=C3)Br

InChI

InChI=1S/C17H18BrNOS/c1-21-14-5-2-4-13(11-14)19-16-6-3-9-20-17-10-12(18)7-8-15(16)17/h2,4-5,7-8,10-11,16,19H,3,6,9H2,1H3