N-[[2-(dimethylamino)pyridin-3-yl]methyl]-2-(3,4-dimethylphenyl)sulfanyl-pyridine-3-carboxamide

Systemtic Name: N-[[2-(dimethylamino)pyridin-3-yl]methyl]-2-(3,4-dimethylphenyl)sulfanyl-pyridine-3-carboxamide Openeye Name: N-[[2-(dimethylamino)-3-pyridyl]methyl]-2-(3,4-dimethylphenyl)sulfanyl-pyridine-3-carboxamide CAS Name: N-[[2-(dimethylamino)-3-pyridinyl]methyl]-2-[(3,4-dimethylphenyl)thio]-3-pyridinecarboxamide IUPAC Name: N-[[2-(dimethylamino)pyridin-3-yl]methyl]-2-(3,4-dimethylphenyl)sulfanylpyridine-3-carboxamide Traditional Name: N-[[2-(dimethylamino)-3-pyridyl]methyl]-2-[(3,4-dimethylphenyl)thio]nicotinamide Formula: C22H24N4OS MolecularWeight: 392.51716

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24N4OS/c1-15-9-10-18(13-16(15)2)28-22-19(8-6-12-24-22)21(27)25-14-17-7-5-11-23-20(17)26(3)4/h5-13H,14H2,1-4H3,(H,25,27)