N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-2,5-dimethyl-1-(pyridin-2-ylmethyl)pyrrole-3-carboxamide

Systemtic Name: N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-2,5-dimethyl-1-(pyridin-2-ylmethyl)pyrrole-3-carboxamide Openeye Name: N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-2,5-dimethyl-1-(2-pyridylmethyl)pyrrole-3-carboxamide CAS Name: N-[2-[(2-cyanophenyl)methylthio]ethyl]-2,5-dimethyl-1-(2-pyridinylmethyl)-3-pyrrolecarboxamide IUPAC Name: N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-2,5-dimethyl-1-(pyridin-2-ylmethyl)pyrrole-3-carboxamide Traditional Name: N-[2-[(2-cyanobenzyl)thio]ethyl]-2,5-dimethyl-1-(2-pyridylmethyl)pyrrole-3-carboxamide Formula: C23H24N4OS MolecularWeight: 404.52786

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC2=CC=CC=N2)C)C(=O)NCCSCC3=CC=CC=C3C#N

Isomeric SMILES

CC1=CC(=C(N1CC2=CC=CC=N2)C)C(=O)NCCSCC3=CC=CC=C3C#N

InChI

InChI=1S/C23H24N4OS/c1-17-13-22(18(2)27(17)15-21-9-5-6-10-25-21)23(28)26-11-12-29-16-20-8-4-3-7-19(20)14-24/h3-10,13H,11-12,15-16H2,1-2H3,(H,26,28)