N-methyl-N-[(4-methylsulfanylphenyl)methyl]-1-(3-nitrophenyl)ethanamine

Systemtic Name: N-methyl-N-[(4-methylsulfanylphenyl)methyl]-1-(3-nitrophenyl)ethanamine Openeye Name: N-methyl-N-[(4-methylsulfanylphenyl)methyl]-1-(3-nitrophenyl)ethanamine CAS Name: N-methyl-N-[[4-(methylthio)phenyl]methyl]-1-(3-nitrophenyl)ethanamine IUPAC Name: N-methyl-N-[(4-methylsulfanylphenyl)methyl]-1-(3-nitrophenyl)ethanamine Traditional Name: methyl-[4-(methylthio)benzyl]-[1-(3-nitrophenyl)ethyl]amine Formula: C17H20N2O2S MolecularWeight: 316.4179

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=CC=C1)[N+](=O)[O-])N(C)CC2=CC=C(C=C2)SC

Isomeric SMILES

CC(C1=CC(=CC=C1)[N+](=O)[O-])N(C)CC2=CC=C(C=C2)SC

InChI

InChI=1S/C17H20N2O2S/c1-13(15-5-4-6-16(11-15)19(20)21)18(2)12-14-7-9-17(22-3)10-8-14/h4-11,13H,12H2,1-3H3