N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-2-(dimethylamino)-5-nitro-benzamide

Systemtic Name: N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-2-(dimethylamino)-5-nitro-benzamide Openeye Name: N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-2-(dimethylamino)-5-nitro-benzamide CAS Name: N-[2-[(2-cyanophenyl)methylthio]ethyl]-2-(dimethylamino)-5-nitrobenzamide IUPAC Name: N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-2-(dimethylamino)-5-nitrobenzamide Traditional Name: N-[2-[(2-cyanobenzyl)thio]ethyl]-2-(dimethylamino)-5-nitro-benzamide Formula: C19H20N4O3S MolecularWeight: 384.4521

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=C(C=C(C=C1)[N+](=O)[O-])C(=O)NCCSCC2=CC=CC=C2C#N

Isomeric SMILES

CN(C)C1=C(C=C(C=C1)[N+](=O)[O-])C(=O)NCCSCC2=CC=CC=C2C#N

InChI

InChI=1S/C19H20N4O3S/c1-22(2)18-8-7-16(23(25)26)11-17(18)19(24)21-9-10-27-13-15-6-4-3-5-14(15)12-20/h3-8,11H,9-10,13H2,1-2H3,(H,21,24)