1-[2-chloranyl-5-(4-methylsulfanylphenyl)phenyl]-N-(cyanomethyl)-4-methyl-pyrrolidine-2-carboxamide

Systemtic Name: 1-[2-chloranyl-5-(4-methylsulfanylphenyl)phenyl]-N-(cyanomethyl)-4-methyl-pyrrolidine-2-carboxamide Openeye Name: 1-[2-chloro-5-(4-methylsulfanylphenyl)phenyl]-N-(cyanomethyl)-4-methyl-pyrrolidine-2-carboxamide CAS Name: 1-[2-chloro-5-[4-(methylthio)phenyl]phenyl]-N-(cyanomethyl)-4-methyl-2-pyrrolidinecarboxamide IUPAC Name: 1-[2-chloro-5-(4-methylsulfanylphenyl)phenyl]-N-(cyanomethyl)-4-methylpyrrolidine-2-carboxamide Traditional Name: 1-[2-chloro-5-[4-(methylthio)phenyl]phenyl]-N-(cyanomethyl)-4-methyl-pyrrolidine-2-carboxamide Formula: C21H22ClN3OS MolecularWeight: 399.93688

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(N(C1)C2=C(C=CC(=C2)C3=CC=C(C=C3)SC)Cl)C(=O)NCC#N

Isomeric SMILES

CC1CC(N(C1)C2=C(C=CC(=C2)C3=CC=C(C=C3)SC)Cl)C(=O)NCC#N

InChI

InChI=1S/C21H22ClN3OS/c1-14-11-20(21(26)24-10-9-23)25(13-14)19-12-16(5-8-18(19)22)15-3-6-17(27-2)7-4-15/h3-8,12,14,20H,10-11,13H2,1-2H3,(H,24,26)