N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-5-nitro-2-pyrrolidin-1-yl-benzamide

Systemtic Name: N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-5-nitro-2-pyrrolidin-1-yl-benzamide Openeye Name: N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-5-nitro-2-pyrrolidin-1-yl-benzamide CAS Name: N-[2-[(2-cyanophenyl)methylthio]ethyl]-5-nitro-2-(1-pyrrolidinyl)benzamide IUPAC Name: N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-5-nitro-2-pyrrolidin-1-ylbenzamide Traditional Name: N-[2-[(2-cyanobenzyl)thio]ethyl]-5-nitro-2-pyrrolidino-benzamide Formula: C21H22N4O3S MolecularWeight: 410.48938

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NCCSCC3=CC=CC=C3C#N

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NCCSCC3=CC=CC=C3C#N

InChI

InChI=1S/C21H22N4O3S/c22-14-16-5-1-2-6-17(16)15-29-12-9-23-21(26)19-13-18(25(27)28)7-8-20(19)24-10-3-4-11-24/h1-2,5-8,13H,3-4,9-12,15H2,(H,23,26)