N-(3,5-dimethylphenyl)-2-[[2-(2-hydroxyethylamino)pyridin-4-yl]methylsulfanyl]pyridine-3-carboxamide

Systemtic Name: N-(3,5-dimethylphenyl)-2-[[2-(2-hydroxyethylamino)pyridin-4-yl]methylsulfanyl]pyridine-3-carboxamide Openeye Name: N-(3,5-dimethylphenyl)-2-[[2-(2-hydroxyethylamino)-4-pyridyl]methylsulfanyl]pyridine-3-carboxamide CAS Name: N-(3,5-dimethylphenyl)-2-[[2-(2-hydroxyethylamino)-4-pyridinyl]methylthio]-3-pyridinecarboxamide IUPAC Name: N-(3,5-dimethylphenyl)-2-[[2-(2-hydroxyethylamino)pyridin-4-yl]methylsulfanyl]pyridine-3-carboxamide Traditional Name: N-(3,5-dimethylphenyl)-2-[[2-(2-hydroxyethylamino)-4-pyridyl]methylthio]nicotinamide Formula: C22H24N4O2S MolecularWeight: 408.51656

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=O)C2=C(N=CC=C2)SCC3=CC(=NC=C3)NCCO)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=O)C2=C(N=CC=C2)SCC3=CC(=NC=C3)NCCO)C

InChI

InChI=1S/C22H24N4O2S/c1-15-10-16(2)12-18(11-15)26-21(28)19-4-3-6-25-22(19)29-14-17-5-7-23-20(13-17)24-8-9-27/h3-7,10-13,27H,8-9,14H2,1-2H3,(H,23,24)(H,26,28)