2-(6-butyl-3-cyano-pyridin-2-yl)sulfanyl-N-[(4-methoxyphenyl)methyl]butanamide

Systemtic Name: 2-(6-butyl-3-cyano-pyridin-2-yl)sulfanyl-N-[(4-methoxyphenyl)methyl]butanamide Openeye Name: 2-[(6-butyl-3-cyano-2-pyridyl)sulfanyl]-N-[(4-methoxyphenyl)methyl]butanamide CAS Name: 2-[(6-butyl-3-cyano-2-pyridinyl)thio]-N-[(4-methoxyphenyl)methyl]butanamide IUPAC Name: 2-(6-butyl-3-cyanopyridin-2-yl)sulfanyl-N-[(4-methoxyphenyl)methyl]butanamide Traditional Name: 2-[(6-butyl-3-cyano-2-pyridyl)thio]-N-p-anisyl-butyramide Formula: C22H27N3O2S MolecularWeight: 397.53368

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=C(C=C1)C#N)SC(CC)C(=O)NCC2=CC=C(C=C2)OC

Isomeric SMILES

CCCCC1=NC(=C(C=C1)C#N)SC(CC)C(=O)NCC2=CC=C(C=C2)OC

InChI

InChI=1S/C22H27N3O2S/c1-4-6-7-18-11-10-17(14-23)22(25-18)28-20(5-2)21(26)24-15-16-8-12-19(27-3)13-9-16/h8-13,20H,4-7,15H2,1-3H3,(H,24,26)