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

Systemtic Name: N-(3,5-dimethylphenyl)-2-[(2-formamidopyridin-4-yl)methylsulfanyl]pyridine-3-carboxamide Openeye Name: N-(3,5-dimethylphenyl)-2-[(2-formamido-4-pyridyl)methylsulfanyl]pyridine-3-carboxamide CAS Name: N-(3,5-dimethylphenyl)-2-[(2-formamido-4-pyridinyl)methylthio]-3-pyridinecarboxamide IUPAC Name: N-(3,5-dimethylphenyl)-2-[(2-formamidopyridin-4-yl)methylsulfanyl]pyridine-3-carboxamide Traditional Name: N-(3,5-dimethylphenyl)-2-[(2-formamido-4-pyridyl)methylthio]nicotinamide Formula: C21H20N4O2S MolecularWeight: 392.4741

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20N4O2S/c1-14-8-15(2)10-17(9-14)25-20(27)18-4-3-6-23-21(18)28-12-16-5-7-22-19(11-16)24-13-26/h3-11,13H,12H2,1-2H3,(H,25,27)(H,22,24,26)