5-chloranyl-2-heptylsulfanyl-aniline

Systemtic Name: 5-chloranyl-2-heptylsulfanyl-aniline Openeye Name: 5-chloro-2-heptylsulfanyl-aniline CAS Name: 5-chloro-2-(heptylthio)aniline IUPAC Name: 5-chloro-2-heptylsulfanylaniline Traditional Name: [5-chloro-2-(heptylthio)phenyl]amine Formula: C13H20ClNS MolecularWeight: 257.8226

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCSC1=C(C=C(C=C1)Cl)N

Isomeric SMILES

CCCCCCCSC1=C(C=C(C=C1)Cl)N

InChI

InChI=1S/C13H20ClNS/c1-2-3-4-5-6-9-16-13-8-7-11(14)10-12(13)15/h7-8,10H,2-6,9,15H2,1H3