1-(azepan-1-yl)-2-[(3,4-dichlorophenyl)methylsulfanyl]ethanone

Systemtic Name: 1-(azepan-1-yl)-2-[(3,4-dichlorophenyl)methylsulfanyl]ethanone Openeye Name: 1-(azepan-1-yl)-2-[(3,4-dichlorophenyl)methylsulfanyl]ethanone CAS Name: 1-(1-azepanyl)-2-[(3,4-dichlorophenyl)methylthio]ethanone IUPAC Name: 1-(azepan-1-yl)-2-[(3,4-dichlorophenyl)methylsulfanyl]ethanone Traditional Name: 1-(azepan-1-yl)-2-[(3,4-dichlorobenzyl)thio]ethanone Formula: C15H19Cl2NOS MolecularWeight: 332.28846

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CSCC2=CC(=C(C=C2)Cl)Cl

Isomeric SMILES

C1CCCN(CC1)C(=O)CSCC2=CC(=C(C=C2)Cl)Cl

InChI

InChI=1S/C15H19Cl2NOS/c16-13-6-5-12(9-14(13)17)10-20-11-15(19)18-7-3-1-2-4-8-18/h5-6,9H,1-4,7-8,10-11H2