N-[(4,5-dimethoxy-2-nitro-phenyl)methyl]-2-methylsulfanyl-aniline

Systemtic Name: N-[(4,5-dimethoxy-2-nitro-phenyl)methyl]-2-methylsulfanyl-aniline Openeye Name: N-[(4,5-dimethoxy-2-nitro-phenyl)methyl]-2-methylsulfanyl-aniline CAS Name: N-[(4,5-dimethoxy-2-nitrophenyl)methyl]-2-(methylthio)aniline IUPAC Name: N-[(4,5-dimethoxy-2-nitrophenyl)methyl]-2-methylsulfanylaniline Traditional Name: (4,5-dimethoxy-2-nitro-benzyl)-[2-(methylthio)phenyl]amine Formula: C16H18N2O4S MolecularWeight: 334.39012

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)CNC2=CC=CC=C2SC)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C(=C1)CNC2=CC=CC=C2SC)[N+](=O)[O-])OC

InChI

InChI=1S/C16H18N2O4S/c1-21-14-8-11(13(18(19)20)9-15(14)22-2)10-17-12-6-4-5-7-16(12)23-3/h4-9,17H,10H2,1-3H3