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

Systemtic Name: N-(3,5-dimethylphenyl)-2-[[2-(pentylamino)pyridin-4-yl]methylsulfanyl]pyridine-3-carboxamide Openeye Name: N-(3,5-dimethylphenyl)-2-[[2-(pentylamino)-4-pyridyl]methylsulfanyl]pyridine-3-carboxamide CAS Name: N-(3,5-dimethylphenyl)-2-[[2-(pentylamino)-4-pyridinyl]methylthio]-3-pyridinecarboxamide IUPAC Name: N-(3,5-dimethylphenyl)-2-[[2-(pentylamino)pyridin-4-yl]methylsulfanyl]pyridine-3-carboxamide Traditional Name: 2-[[2-(amylamino)-4-pyridyl]methylthio]-N-(3,5-dimethylphenyl)nicotinamide Formula: C25H30N4OS MolecularWeight: 434.5969

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC1=NC=CC(=C1)CSC2=C(C=CC=N2)C(=O)NC3=CC(=CC(=C3)C)C

Isomeric SMILES

CCCCCNC1=NC=CC(=C1)CSC2=C(C=CC=N2)C(=O)NC3=CC(=CC(=C3)C)C

InChI

InChI=1S/C25H30N4OS/c1-4-5-6-10-26-23-16-20(9-12-27-23)17-31-25-22(8-7-11-28-25)24(30)29-21-14-18(2)13-19(3)15-21/h7-9,11-16H,4-6,10,17H2,1-3H3,(H,26,27)(H,29,30)