N-(2-methyl-1-phenyl-propan-2-yl)-2-pentylsulfanyl-pyridine-3-carboxamide

Systemtic Name: N-(2-methyl-1-phenyl-propan-2-yl)-2-pentylsulfanyl-pyridine-3-carboxamide Openeye Name: N-(1,1-dimethyl-2-phenyl-ethyl)-2-pentylsulfanyl-pyridine-3-carboxamide CAS Name: N-(2-methyl-1-phenylpropan-2-yl)-2-(pentylthio)-3-pyridinecarboxamide IUPAC Name: N-(2-methyl-1-phenylpropan-2-yl)-2-pentylsulfanylpyridine-3-carboxamide Traditional Name: 2-(amylthio)-N-(1,1-dimethyl-2-phenyl-ethyl)nicotinamide Formula: C21H28N2OS MolecularWeight: 356.52482

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCSC1=C(C=CC=N1)C(=O)NC(C)(C)CC2=CC=CC=C2

Isomeric SMILES

CCCCCSC1=C(C=CC=N1)C(=O)NC(C)(C)CC2=CC=CC=C2

InChI

InChI=1S/C21H28N2OS/c1-4-5-9-15-25-20-18(13-10-14-22-20)19(24)23-21(2,3)16-17-11-7-6-8-12-17/h6-8,10-14H,4-5,9,15-16H2,1-3H3,(H,23,24)