5-(2,3-dimethylphenyl)-2-[(2-methylsulfanylpyridin-4-yl)methylsulfanyl]pyridine-3-carboxamide

Systemtic Name: 5-(2,3-dimethylphenyl)-2-[(2-methylsulfanylpyridin-4-yl)methylsulfanyl]pyridine-3-carboxamide Openeye Name: 5-(2,3-dimethylphenyl)-2-[(2-methylsulfanyl-4-pyridyl)methylsulfanyl]pyridine-3-carboxamide CAS Name: 5-(2,3-dimethylphenyl)-2-[[2-(methylthio)-4-pyridinyl]methylthio]-3-pyridinecarboxamide IUPAC Name: 5-(2,3-dimethylphenyl)-2-[(2-methylsulfanylpyridin-4-yl)methylsulfanyl]pyridine-3-carboxamide Traditional Name: 5-(2,3-dimethylphenyl)-2-[[2-(methylthio)-4-pyridyl]methylthio]nicotinamide Formula: C21H21N3OS2 MolecularWeight: 395.54094

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1C)C2=CC(=C(N=C2)SCC3=CC(=NC=C3)SC)C(=O)N

Isomeric SMILES

CC1=CC=CC(=C1C)C2=CC(=C(N=C2)SCC3=CC(=NC=C3)SC)C(=O)N

InChI

InChI=1S/C21H21N3OS2/c1-13-5-4-6-17(14(13)2)16-10-18(20(22)25)21(24-11-16)27-12-15-7-8-23-19(9-15)26-3/h4-11H,12H2,1-3H3,(H2,22,25)