N-(1-adamantylmethyl)-2-pentylsulfanyl-pyridine-3-carboxamide

Systemtic Name: N-(1-adamantylmethyl)-2-pentylsulfanyl-pyridine-3-carboxamide Openeye Name: N-(1-adamantylmethyl)-2-pentylsulfanyl-pyridine-3-carboxamide CAS Name: N-(1-adamantylmethyl)-2-(pentylthio)-3-pyridinecarboxamide IUPAC Name: N-(1-adamantylmethyl)-2-pentylsulfanylpyridine-3-carboxamide Traditional Name: N-(1-adamantylmethyl)-2-(amylthio)nicotinamide Formula: C22H32N2OS MolecularWeight: 372.56728

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCSC1=C(C=CC=N1)C(=O)NCC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CCCCCSC1=C(C=CC=N1)C(=O)NCC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C22H32N2OS/c1-2-3-4-8-26-21-19(6-5-7-23-21)20(25)24-15-22-12-16-9-17(13-22)11-18(10-16)14-22/h5-7,16-18H,2-4,8-15H2,1H3,(H,24,25)