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

Systemtic Name: N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-2,5-dimethyl-1-propan-2-yl-pyrrole-3-carboxamide Openeye Name: N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-1-isopropyl-2,5-dimethyl-pyrrole-3-carboxamide CAS Name: N-[2-[(2-cyanophenyl)methylthio]ethyl]-2,5-dimethyl-1-propan-2-yl-3-pyrrolecarboxamide IUPAC Name: N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide Traditional Name: N-[2-[(2-cyanobenzyl)thio]ethyl]-1-isopropyl-2,5-dimethyl-pyrrole-3-carboxamide Formula: C20H25N3OS MolecularWeight: 355.497

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C(C)C)C)C(=O)NCCSCC2=CC=CC=C2C#N

Isomeric SMILES

CC1=CC(=C(N1C(C)C)C)C(=O)NCCSCC2=CC=CC=C2C#N

InChI

InChI=1S/C20H25N3OS/c1-14(2)23-15(3)11-19(16(23)4)20(24)22-9-10-25-13-18-8-6-5-7-17(18)12-21/h5-8,11,14H,9-10,13H2,1-4H3,(H,22,24)