4-ethyl-N-[(4-methylsulfanylphenyl)methyl]-3-nitro-aniline

Systemtic Name: 4-ethyl-N-[(4-methylsulfanylphenyl)methyl]-3-nitro-aniline Openeye Name: 4-ethyl-N-[(4-methylsulfanylphenyl)methyl]-3-nitro-aniline CAS Name: 4-ethyl-N-[[4-(methylthio)phenyl]methyl]-3-nitroaniline IUPAC Name: 4-ethyl-N-[(4-methylsulfanylphenyl)methyl]-3-nitroaniline Traditional Name: (4-ethyl-3-nitro-phenyl)-[4-(methylthio)benzyl]amine Formula: C16H18N2O2S MolecularWeight: 302.39132

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C=C1)NCC2=CC=C(C=C2)SC)[N+](=O)[O-]

Isomeric SMILES

CCC1=C(C=C(C=C1)NCC2=CC=C(C=C2)SC)[N+](=O)[O-]

InChI

InChI=1S/C16H18N2O2S/c1-3-13-6-7-14(10-16(13)18(19)20)17-11-12-4-8-15(21-2)9-5-12/h4-10,17H,3,11H2,1-2H3