2-methyl-N-(3-methylsulfanylpropyl)-5-nitro-aniline

Systemtic Name: 2-methyl-N-(3-methylsulfanylpropyl)-5-nitro-aniline Openeye Name: 2-methyl-N-(3-methylsulfanylpropyl)-5-nitro-aniline CAS Name: 2-methyl-N-[3-(methylthio)propyl]-5-nitroaniline IUPAC Name: 2-methyl-N-(3-methylsulfanylpropyl)-5-nitroaniline Traditional Name: (2-methyl-5-nitro-phenyl)-[3-(methylthio)propyl]amine Formula: C11H16N2O2S MolecularWeight: 240.32194

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])NCCCSC

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])NCCCSC

InChI

InChI=1S/C11H16N2O2S/c1-9-4-5-10(13(14)15)8-11(9)12-6-3-7-16-2/h4-5,8,12H,3,6-7H2,1-2H3