N-(4-tert-butylphenyl)-2-[[2-(methylamino)pyridin-4-yl]methylsulfanyl]pyridine-3-carboxamide

Systemtic Name: N-(4-tert-butylphenyl)-2-[[2-(methylamino)pyridin-4-yl]methylsulfanyl]pyridine-3-carboxamide Openeye Name: N-(4-tert-butylphenyl)-2-[[2-(methylamino)-4-pyridyl]methylsulfanyl]pyridine-3-carboxamide CAS Name: N-(4-tert-butylphenyl)-2-[[2-(methylamino)-4-pyridinyl]methylthio]-3-pyridinecarboxamide IUPAC Name: N-(4-tert-butylphenyl)-2-[[2-(methylamino)pyridin-4-yl]methylsulfanyl]pyridine-3-carboxamide Traditional Name: N-(4-tert-butylphenyl)-2-[[2-(methylamino)-4-pyridyl]methylthio]nicotinamide Formula: C23H26N4OS MolecularWeight: 406.54374

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26N4OS/c1-23(2,3)17-7-9-18(10-8-17)27-21(28)19-6-5-12-26-22(19)29-15-16-11-13-25-20(14-16)24-4/h5-14H,15H2,1-4H3,(H,24,25)(H,27,28)