3-cyano-6-cyclopropyl-2-methylsulfanyl-N-[(4-propan-2-yloxyphenyl)methyl]pyridine-4-carboxamide

Systemtic Name: 3-cyano-6-cyclopropyl-2-methylsulfanyl-N-[(4-propan-2-yloxyphenyl)methyl]pyridine-4-carboxamide Openeye Name: 3-cyano-6-cyclopropyl-N-[(4-isopropoxyphenyl)methyl]-2-methylsulfanyl-pyridine-4-carboxamide CAS Name: 3-cyano-6-cyclopropyl-2-(methylthio)-N-[(4-propan-2-yloxyphenyl)methyl]-4-pyridinecarboxamide IUPAC Name: 3-cyano-6-cyclopropyl-2-methylsulfanyl-N-[(4-propan-2-yloxyphenyl)methyl]pyridine-4-carboxamide Traditional Name: 3-cyano-6-cyclopropyl-N-(4-isopropoxybenzyl)-2-(methylthio)isonicotinamide Formula: C21H23N3O2S MolecularWeight: 381.49122

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=C(C=C1)CNC(=O)C2=CC(=NC(=C2C#N)SC)C3CC3

Isomeric SMILES

CC(C)OC1=CC=C(C=C1)CNC(=O)C2=CC(=NC(=C2C#N)SC)C3CC3

InChI

InChI=1S/C21H23N3O2S/c1-13(2)26-16-8-4-14(5-9-16)12-23-20(25)17-10-19(15-6-7-15)24-21(27-3)18(17)11-22/h4-5,8-10,13,15H,6-7,12H2,1-3H3,(H,23,25)