N-(2,3-dimethylcyclohexyl)-2-[(2-fluorophenyl)methylsulfanyl]pyridine-3-carboxamide

Systemtic Name: N-(2,3-dimethylcyclohexyl)-2-[(2-fluorophenyl)methylsulfanyl]pyridine-3-carboxamide Openeye Name: N-(2,3-dimethylcyclohexyl)-2-[(2-fluorophenyl)methylsulfanyl]pyridine-3-carboxamide CAS Name: N-(2,3-dimethylcyclohexyl)-2-[(2-fluorophenyl)methylthio]-3-pyridinecarboxamide IUPAC Name: N-(2,3-dimethylcyclohexyl)-2-[(2-fluorophenyl)methylsulfanyl]pyridine-3-carboxamide Traditional Name: N-(2,3-dimethylcyclohexyl)-2-[(2-fluorobenzyl)thio]nicotinamide Formula: C21H25FN2OS MolecularWeight: 372.499403

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1C)NC(=O)C2=C(N=CC=C2)SCC3=CC=CC=C3F

Isomeric SMILES

CC1CCCC(C1C)NC(=O)C2=C(N=CC=C2)SCC3=CC=CC=C3F

InChI

InChI=1S/C21H25FN2OS/c1-14-7-5-11-19(15(14)2)24-20(25)17-9-6-12-23-21(17)26-13-16-8-3-4-10-18(16)22/h3-4,6,8-10,12,14-15,19H,5,7,11,13H2,1-2H3,(H,24,25)