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

Systemtic Name: 2-[1-(4-bromophenyl)-2-nitro-butyl]sulfanylaniline Openeye Name: 2-[1-(4-bromophenyl)-2-nitro-butyl]sulfanylaniline CAS Name: 2-[[1-(4-bromophenyl)-2-nitrobutyl]thio]aniline IUPAC Name: 2-[1-(4-bromophenyl)-2-nitrobutyl]sulfanylaniline Traditional Name: [2-[[1-(4-bromophenyl)-2-nitro-butyl]thio]phenyl]amine Formula: C16H17BrN2O2S MolecularWeight: 381.28738

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17BrN2O2S/c1-2-14(19(20)21)16(11-7-9-12(17)10-8-11)22-15-6-4-3-5-13(15)18/h3-10,14,16H,2,18H2,1H3