3-methylsulfanyl-N-[1-(3-nitrophenyl)propyl]aniline

Systemtic Name: 3-methylsulfanyl-N-[1-(3-nitrophenyl)propyl]aniline Openeye Name: 3-methylsulfanyl-N-[1-(3-nitrophenyl)propyl]aniline CAS Name: 3-(methylthio)-N-[1-(3-nitrophenyl)propyl]aniline IUPAC Name: 3-methylsulfanyl-N-[1-(3-nitrophenyl)propyl]aniline Traditional Name: [3-(methylthio)phenyl]-[1-(3-nitrophenyl)propyl]amine Formula: C16H18N2O2S MolecularWeight: 302.39132

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC(=CC=C1)[N+](=O)[O-])NC2=CC(=CC=C2)SC

Isomeric SMILES

CCC(C1=CC(=CC=C1)[N+](=O)[O-])NC2=CC(=CC=C2)SC

InChI

InChI=1S/C16H18N2O2S/c1-3-16(12-6-4-8-14(10-12)18(19)20)17-13-7-5-9-15(11-13)21-2/h4-11,16-17H,3H2,1-2H3