N-methyl-1-[2-(3-methyl-4-methylsulfanyl-phenoxy)-5-nitro-phenyl]methanamine

Systemtic Name: N-methyl-1-[2-(3-methyl-4-methylsulfanyl-phenoxy)-5-nitro-phenyl]methanamine Openeye Name: N-methyl-1-[2-(3-methyl-4-methylsulfanyl-phenoxy)-5-nitro-phenyl]methanamine CAS Name: N-methyl-1-[2-[3-methyl-4-(methylthio)phenoxy]-5-nitrophenyl]methanamine IUPAC Name: N-methyl-1-[2-(3-methyl-4-methylsulfanylphenoxy)-5-nitrophenyl]methanamine Traditional Name: methyl-[2-[3-methyl-4-(methylthio)phenoxy]-5-nitro-benzyl]amine Formula: C16H18N2O3S MolecularWeight: 318.39072

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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