5-(2-diethylaminoethylsulfanyl)-2-nitro-aniline

Systemtic Name: 5-(2-diethylaminoethylsulfanyl)-2-nitro-aniline Openeye Name: 5-(2-diethylaminoethylsulfanyl)-2-nitro-aniline CAS Name: 5-(2-diethylaminoethylthio)-2-nitroaniline IUPAC Name: 5-(2-diethylaminoethylsulfanyl)-2-nitroaniline Traditional Name: 2-[(3-amino-4-nitro-phenyl)thio]ethyl-diethyl-amine Formula: C12H19N3O2S MolecularWeight: 269.36316

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCSC1=CC(=C(C=C1)[N+](=O)[O-])N

Isomeric SMILES

CCN(CC)CCSC1=CC(=C(C=C1)[N+](=O)[O-])N

InChI

InChI=1S/C12H19N3O2S/c1-3-14(4-2)7-8-18-10-5-6-12(15(16)17)11(13)9-10/h5-6,9H,3-4,7-8,13H2,1-2H3