N-[(2-methyl-3-nitro-phenyl)methyl]-3-methylsulfanyl-aniline

Systemtic Name: N-[(2-methyl-3-nitro-phenyl)methyl]-3-methylsulfanyl-aniline Openeye Name: N-[(2-methyl-3-nitro-phenyl)methyl]-3-methylsulfanyl-aniline CAS Name: N-[(2-methyl-3-nitrophenyl)methyl]-3-(methylthio)aniline IUPAC Name: N-[(2-methyl-3-nitrophenyl)methyl]-3-methylsulfanylaniline Traditional Name: (2-methyl-3-nitro-benzyl)-[3-(methylthio)phenyl]amine Formula: C15H16N2O2S MolecularWeight: 288.36474

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])CNC2=CC(=CC=C2)SC

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])CNC2=CC(=CC=C2)SC

InChI

InChI=1S/C15H16N2O2S/c1-11-12(5-3-8-15(11)17(18)19)10-16-13-6-4-7-14(9-13)20-2/h3-9,16H,10H2,1-2H3