4-chloranyl-2-[1-(methylamino)hexan-3-ylsulfanyl]benzenecarbonitrile

Systemtic Name: 4-chloranyl-2-[1-(methylamino)hexan-3-ylsulfanyl]benzenecarbonitrile Openeye Name: 4-chloro-2-[1-[2-(methylamino)ethyl]butylsulfanyl]benzonitrile CAS Name: 4-chloro-2-[1-(methylamino)hexan-3-ylthio]benzonitrile IUPAC Name: 4-chloro-2-[1-(methylamino)hexan-3-ylsulfanyl]benzonitrile Traditional Name: 4-chloro-2-[1-[2-(methylamino)ethyl]butylthio]benzonitrile Formula: C14H19ClN2S MolecularWeight: 282.83206

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCNC)SC1=C(C=CC(=C1)Cl)C#N

Isomeric SMILES

CCCC(CCNC)SC1=C(C=CC(=C1)Cl)C#N

InChI

InChI=1S/C14H19ClN2S/c1-3-4-13(7-8-17-2)18-14-9-12(15)6-5-11(14)10-16/h5-6,9,13,17H,3-4,7-8H2,1-2H3