N,N-dibutyl-1-(4-methylsulfanylphenyl)ethane-1,2-diamine

Systemtic Name: N,N-dibutyl-1-(4-methylsulfanylphenyl)ethane-1,2-diamine Openeye Name: N,N-dibutyl-1-(4-methylsulfanylphenyl)ethane-1,2-diamine CAS Name: N,N-dibutyl-1-[4-(methylthio)phenyl]ethane-1,2-diamine IUPAC Name: N,N-dibutyl-1-(4-methylsulfanylphenyl)ethane-1,2-diamine Traditional Name: [2-amino-1-[4-(methylthio)phenyl]ethyl]-dibutyl-amine Formula: C17H30N2S MolecularWeight: 294.4985

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CCCC)C(CN)C1=CC=C(C=C1)SC

Isomeric SMILES

CCCCN(CCCC)C(CN)C1=CC=C(C=C1)SC

InChI

InChI=1S/C17H30N2S/c1-4-6-12-19(13-7-5-2)17(14-18)15-8-10-16(20-3)11-9-15/h8-11,17H,4-7,12-14,18H2,1-3H3