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

Systemtic Name: 2-[2-nitro-1-(4-nitrophenyl)butyl]sulfanylaniline Openeye Name: 2-[2-nitro-1-(4-nitrophenyl)butyl]sulfanylaniline CAS Name: 2-[[2-nitro-1-(4-nitrophenyl)butyl]thio]aniline IUPAC Name: 2-[2-nitro-1-(4-nitrophenyl)butyl]sulfanylaniline Traditional Name: [2-[[2-nitro-1-(4-nitrophenyl)butyl]thio]phenyl]amine Formula: C16H17N3O4S MolecularWeight: 347.38888

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17N3O4S/c1-2-14(19(22)23)16(24-15-6-4-3-5-13(15)17)11-7-9-12(10-8-11)18(20)21/h3-10,14,16H,2,17H2,1H3