1-phenyl-2-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfanyl)ethanone

Systemtic Name: 1-phenyl-2-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfanyl)ethanone Openeye Name: 1-phenyl-2-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfanyl)ethanone CAS Name: 1-phenyl-2-(3,4,5,6-tetrahydro-2H-azepin-7-ylthio)ethanone IUPAC Name: 1-phenyl-2-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfanyl)ethanone Traditional Name: 1-phenyl-2-(3,4,5,6-tetrahydro-2H-azepin-7-ylthio)ethanone Formula: C14H17NOS MolecularWeight: 247.35588

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=NCC1)SCC(=O)C2=CC=CC=C2

Isomeric SMILES

C1CCC(=NCC1)SCC(=O)C2=CC=CC=C2

InChI

InChI=1S/C14H17NOS/c16-13(12-7-3-1-4-8-12)11-17-14-9-5-2-6-10-15-14/h1,3-4,7-8H,2,5-6,9-11H2