2-(3,4-dimethylphenyl)sulfanyl-N-(4-pyrrolidin-1-ylphenyl)pyridine-3-carboxamide

Systemtic Name: 2-(3,4-dimethylphenyl)sulfanyl-N-(4-pyrrolidin-1-ylphenyl)pyridine-3-carboxamide Openeye Name: 2-(3,4-dimethylphenyl)sulfanyl-N-(4-pyrrolidin-1-ylphenyl)pyridine-3-carboxamide CAS Name: 2-[(3,4-dimethylphenyl)thio]-N-[4-(1-pyrrolidinyl)phenyl]-3-pyridinecarboxamide IUPAC Name: 2-(3,4-dimethylphenyl)sulfanyl-N-(4-pyrrolidin-1-ylphenyl)pyridine-3-carboxamide Traditional Name: 2-[(3,4-dimethylphenyl)thio]-N-(4-pyrrolidinophenyl)nicotinamide Formula: C24H25N3OS MolecularWeight: 403.5398

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SC2=C(C=CC=N2)C(=O)NC3=CC=C(C=C3)N4CCCC4)C

Isomeric SMILES

CC1=C(C=C(C=C1)SC2=C(C=CC=N2)C(=O)NC3=CC=C(C=C3)N4CCCC4)C

InChI

InChI=1S/C24H25N3OS/c1-17-7-12-21(16-18(17)2)29-24-22(6-5-13-25-24)23(28)26-19-8-10-20(11-9-19)27-14-3-4-15-27/h5-13,16H,3-4,14-15H2,1-2H3,(H,26,28)