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

Systemtic Name: 2-(3-cyano-6-propyl-pyridin-2-yl)sulfanyl-N-[(4-methoxyphenyl)methyl]butanamide Openeye Name: 2-[(3-cyano-6-propyl-2-pyridyl)sulfanyl]-N-[(4-methoxyphenyl)methyl]butanamide CAS Name: 2-[(3-cyano-6-propyl-2-pyridinyl)thio]-N-[(4-methoxyphenyl)methyl]butanamide IUPAC Name: 2-(3-cyano-6-propylpyridin-2-yl)sulfanyl-N-[(4-methoxyphenyl)methyl]butanamide Traditional Name: 2-[(3-cyano-6-propyl-2-pyridyl)thio]-N-p-anisyl-butyramide Formula: C21H25N3O2S MolecularWeight: 383.5071

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC(=C(C=C1)C#N)SC(CC)C(=O)NCC2=CC=C(C=C2)OC

Isomeric SMILES

CCCC1=NC(=C(C=C1)C#N)SC(CC)C(=O)NCC2=CC=C(C=C2)OC

InChI

InChI=1S/C21H25N3O2S/c1-4-6-17-10-9-16(13-22)21(24-17)27-19(5-2)20(25)23-14-15-7-11-18(26-3)12-8-15/h7-12,19H,4-6,14H2,1-3H3,(H,23,25)