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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NCC1=CC=C(C=C1)OC)SC2=C(C=CC(=N2)C(C)C)C#N

Isomeric SMILES

CCC(C(=O)NCC1=CC=C(C=C1)OC)SC2=C(C=CC(=N2)C(C)C)C#N

InChI

InChI=1S/C21H25N3O2S/c1-5-19(20(25)23-13-15-6-9-17(26-4)10-7-15)27-21-16(12-22)8-11-18(24-21)14(2)3/h6-11,14,19H,5,13H2,1-4H3,(H,23,25)