N-(3-methyl-4-propan-2-yl-phenyl)-2-(pyridin-4-ylmethylsulfanyl)pyridine-3-carboxamide

Systemtic Name: N-(3-methyl-4-propan-2-yl-phenyl)-2-(pyridin-4-ylmethylsulfanyl)pyridine-3-carboxamide Openeye Name: N-(4-isopropyl-3-methyl-phenyl)-2-(4-pyridylmethylsulfanyl)pyridine-3-carboxamide CAS Name: N-(3-methyl-4-propan-2-ylphenyl)-2-(pyridin-4-ylmethylthio)-3-pyridinecarboxamide IUPAC Name: N-(3-methyl-4-propan-2-ylphenyl)-2-(pyridin-4-ylmethylsulfanyl)pyridine-3-carboxamide Traditional Name: N-(4-isopropyl-3-methyl-phenyl)-2-(4-pyridylmethylthio)nicotinamide Formula: C22H23N3OS MolecularWeight: 377.50252

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)C2=C(N=CC=C2)SCC3=CC=NC=C3)C(C)C

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)C2=C(N=CC=C2)SCC3=CC=NC=C3)C(C)C

InChI

InChI=1S/C22H23N3OS/c1-15(2)19-7-6-18(13-16(19)3)25-21(26)20-5-4-10-24-22(20)27-14-17-8-11-23-12-9-17/h4-13,15H,14H2,1-3H3,(H,25,26)