N-heptan-2-yl-4-methylsulfanyl-aniline

Systemtic Name: N-heptan-2-yl-4-methylsulfanyl-aniline Openeye Name: N-(1-methylhexyl)-4-methylsulfanyl-aniline CAS Name: N-heptan-2-yl-4-(methylthio)aniline IUPAC Name: N-heptan-2-yl-4-methylsulfanylaniline Traditional Name: 1-methylhexyl-[4-(methylthio)phenyl]amine Formula: C14H23NS MolecularWeight: 237.40412

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)NC1=CC=C(C=C1)SC

Isomeric SMILES

CCCCCC(C)NC1=CC=C(C=C1)SC

InChI

InChI=1S/C14H23NS/c1-4-5-6-7-12(2)15-13-8-10-14(16-3)11-9-13/h8-12,15H,4-7H2,1-3H3