N-[(4-methylsulfanylphenyl)methyl]heptan-2-amine

Systemtic Name: N-[(4-methylsulfanylphenyl)methyl]heptan-2-amine Openeye Name: N-[(4-methylsulfanylphenyl)methyl]heptan-2-amine CAS Name: N-[[4-(methylthio)phenyl]methyl]-2-heptanamine IUPAC Name: N-[(4-methylsulfanylphenyl)methyl]heptan-2-amine Traditional Name: 1-methylhexyl-[4-(methylthio)benzyl]amine Formula: C15H25NS MolecularWeight: 251.4307

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)NCC1=CC=C(C=C1)SC

Isomeric SMILES

CCCCCC(C)NCC1=CC=C(C=C1)SC

InChI

InChI=1S/C15H25NS/c1-4-5-6-7-13(2)16-12-14-8-10-15(17-3)11-9-14/h8-11,13,16H,4-7,12H2,1-3H3