2-[1-[3-(dimethylamino)phenyl]-2-nitro-ethyl]sulfanylaniline

Systemtic Name: 2-[1-[3-(dimethylamino)phenyl]-2-nitro-ethyl]sulfanylaniline Openeye Name: 2-[1-[3-(dimethylamino)phenyl]-2-nitro-ethyl]sulfanylaniline CAS Name: 2-[[1-[3-(dimethylamino)phenyl]-2-nitroethyl]thio]aniline IUPAC Name: 2-[1-[3-(dimethylamino)phenyl]-2-nitroethyl]sulfanylaniline Traditional Name: [3-[1-[(2-aminophenyl)thio]-2-nitro-ethyl]phenyl]-dimethyl-amine Formula: C16H19N3O2S MolecularWeight: 317.40596

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19N3O2S/c1-18(2)13-7-5-6-12(10-13)16(11-19(20)21)22-15-9-4-3-8-14(15)17/h3-10,16H,11,17H2,1-2H3