2-[1-(4-methylphenyl)-2-nitro-butyl]sulfanylaniline

Systemtic Name: 2-[1-(4-methylphenyl)-2-nitro-butyl]sulfanylaniline Openeye Name: 2-[2-nitro-1-(p-tolyl)butyl]sulfanylaniline CAS Name: 2-[[1-(4-methylphenyl)-2-nitrobutyl]thio]aniline IUPAC Name: 2-[1-(4-methylphenyl)-2-nitrobutyl]sulfanylaniline Traditional Name: [2-[[2-nitro-1-(p-tolyl)butyl]thio]phenyl]amine Formula: C17H20N2O2S MolecularWeight: 316.4179

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(C1=CC=C(C=C1)C)SC2=CC=CC=C2N)[N+](=O)[O-]

Isomeric SMILES

CCC(C(C1=CC=C(C=C1)C)SC2=CC=CC=C2N)[N+](=O)[O-]

InChI

InChI=1S/C17H20N2O2S/c1-3-15(19(20)21)17(13-10-8-12(2)9-11-13)22-16-7-5-4-6-14(16)18/h4-11,15,17H,3,18H2,1-2H3