N4-(4-butylsulfanyl-2-nitro-phenyl)benzene-1,4-diamine

Systemtic Name: N4-(4-butylsulfanyl-2-nitro-phenyl)benzene-1,4-diamine Openeye Name: N4-(4-butylsulfanyl-2-nitro-phenyl)benzene-1,4-diamine CAS Name: N4-[4-(butylthio)-2-nitrophenyl]benzene-1,4-diamine IUPAC Name: 4-N-(4-butylsulfanyl-2-nitrophenyl)benzene-1,4-diamine Traditional Name: (4-aminophenyl)-[4-(butylthio)-2-nitro-phenyl]amine Formula: C16H19N3O2S MolecularWeight: 317.40596

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=CC(=C(C=C1)NC2=CC=C(C=C2)N)[N+](=O)[O-]

Isomeric SMILES

CCCCSC1=CC(=C(C=C1)NC2=CC=C(C=C2)N)[N+](=O)[O-]

InChI

InChI=1S/C16H19N3O2S/c1-2-3-10-22-14-8-9-15(16(11-14)19(20)21)18-13-6-4-12(17)5-7-13/h4-9,11,18H,2-3,10,17H2,1H3