N-(3,5-dimethylphenyl)-2-[(2-methylprop-2-enylamino)-pyridin-4-yl-methyl]sulfanyl-pyridine-3-carboxamide

Systemtic Name: N-(3,5-dimethylphenyl)-2-[(2-methylprop-2-enylamino)-pyridin-4-yl-methyl]sulfanyl-pyridine-3-carboxamide Openeye Name: N-(3,5-dimethylphenyl)-2-[(2-methylallylamino)-(4-pyridyl)methyl]sulfanyl-pyridine-3-carboxamide CAS Name: N-(3,5-dimethylphenyl)-2-[[(2-methylprop-2-enylamino)-pyridin-4-ylmethyl]thio]-3-pyridinecarboxamide IUPAC Name: N-(3,5-dimethylphenyl)-2-[(2-methylprop-2-enylamino)-pyridin-4-ylmethyl]sulfanylpyridine-3-carboxamide Traditional Name: N-(3,5-dimethylphenyl)-2-[[(2-methylallylamino)-(4-pyridyl)methyl]thio]nicotinamide Formula: C24H26N4OS MolecularWeight: 418.55444

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=O)C2=C(N=CC=C2)SC(C3=CC=NC=C3)NCC(=C)C)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=O)C2=C(N=CC=C2)SC(C3=CC=NC=C3)NCC(=C)C)C

InChI

InChI=1S/C24H26N4OS/c1-16(2)15-27-23(19-7-10-25-11-8-19)30-24-21(6-5-9-26-24)22(29)28-20-13-17(3)12-18(4)14-20/h5-14,23,27H,1,15H2,2-4H3,(H,28,29)