N-methyl-N-[(4-methylsulfanylphenyl)methyl]-2,4-dinitro-aniline

Systemtic Name: N-methyl-N-[(4-methylsulfanylphenyl)methyl]-2,4-dinitro-aniline Openeye Name: N-methyl-N-[(4-methylsulfanylphenyl)methyl]-2,4-dinitro-aniline CAS Name: N-methyl-N-[[4-(methylthio)phenyl]methyl]-2,4-dinitroaniline IUPAC Name: N-methyl-N-[(4-methylsulfanylphenyl)methyl]-2,4-dinitroaniline Traditional Name: (2,4-dinitrophenyl)-methyl-[4-(methylthio)benzyl]amine Formula: C15H15N3O4S MolecularWeight: 333.3623

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H15N3O4S/c1-16(10-11-3-6-13(23-2)7-4-11)14-8-5-12(17(19)20)9-15(14)18(21)22/h3-9H,10H2,1-2H3