(2S)-N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-2-(4-nitrophenyl)sulfanyl-propanamide

Systemtic Name: (2S)-N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-2-(4-nitrophenyl)sulfanyl-propanamide Openeye Name: (2S)-N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-2-(4-nitrophenyl)sulfanyl-propanamide CAS Name: (2S)-N-[2-[(2-cyanophenyl)methylthio]ethyl]-2-[(4-nitrophenyl)thio]propanamide IUPAC Name: (2S)-N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-2-(4-nitrophenyl)sulfanylpropanamide Traditional Name: (2S)-N-[2-[(2-cyanobenzyl)thio]ethyl]-2-[(4-nitrophenyl)thio]propionamide Formula: C19H19N3O3S2 MolecularWeight: 401.50246

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCCSCC1=CC=CC=C1C#N)SC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C[C@@H](C(=O)NCCSCC1=CC=CC=C1C#N)SC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C19H19N3O3S2/c1-14(27-18-8-6-17(7-9-18)22(24)25)19(23)21-10-11-26-13-16-5-3-2-4-15(16)12-20/h2-9,14H,10-11,13H2,1H3,(H,21,23)/t14-/m0/s1