N-[(4-dimethylaminophenyl)methyl]-2-(3,4-dimethylphenyl)sulfanyl-pyridine-3-carboxamide

Systemtic Name: N-[(4-dimethylaminophenyl)methyl]-2-(3,4-dimethylphenyl)sulfanyl-pyridine-3-carboxamide Openeye Name: N-[(4-dimethylaminophenyl)methyl]-2-(3,4-dimethylphenyl)sulfanyl-pyridine-3-carboxamide CAS Name: N-[(4-dimethylaminophenyl)methyl]-2-[(3,4-dimethylphenyl)thio]-3-pyridinecarboxamide IUPAC Name: N-[(4-dimethylaminophenyl)methyl]-2-(3,4-dimethylphenyl)sulfanylpyridine-3-carboxamide Traditional Name: N-[4-(dimethylamino)benzyl]-2-[(3,4-dimethylphenyl)thio]nicotinamide Formula: C23H25N3OS MolecularWeight: 391.5291

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)NCC3=CC=C(C=C3)N(C)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)SC2=C(C=CC=N2)C(=O)NCC3=CC=C(C=C3)N(C)C)C

InChI

InChI=1S/C23H25N3OS/c1-16-7-12-20(14-17(16)2)28-23-21(6-5-13-24-23)22(27)25-15-18-8-10-19(11-9-18)26(3)4/h5-14H,15H2,1-4H3,(H,25,27)