N,N-dimethyl-1-[2-(4-methylsulfanylphenoxy)-5-nitro-phenyl]methanamine

Systemtic Name: N,N-dimethyl-1-[2-(4-methylsulfanylphenoxy)-5-nitro-phenyl]methanamine Openeye Name: N,N-dimethyl-1-[2-(4-methylsulfanylphenoxy)-5-nitro-phenyl]methanamine CAS Name: N,N-dimethyl-1-[2-[4-(methylthio)phenoxy]-5-nitrophenyl]methanamine IUPAC Name: N,N-dimethyl-1-[2-(4-methylsulfanylphenoxy)-5-nitrophenyl]methanamine Traditional Name: dimethyl-[2-[4-(methylthio)phenoxy]-5-nitro-benzyl]amine Formula: C16H18N2O3S MolecularWeight: 318.39072

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC1=C(C=CC(=C1)[N+](=O)[O-])OC2=CC=C(C=C2)SC

Isomeric SMILES

CN(C)CC1=C(C=CC(=C1)[N+](=O)[O-])OC2=CC=C(C=C2)SC

InChI

InChI=1S/C16H18N2O3S/c1-17(2)11-12-10-13(18(19)20)4-9-16(12)21-14-5-7-15(22-3)8-6-14/h4-10H,11H2,1-3H3