2-(2,5-dimethylphenyl)sulfanyl-N-(2-methylpropyl)pyridine-3-carboxamide

Systemtic Name: 2-(2,5-dimethylphenyl)sulfanyl-N-(2-methylpropyl)pyridine-3-carboxamide Openeye Name: 2-(2,5-dimethylphenyl)sulfanyl-N-isobutyl-pyridine-3-carboxamide CAS Name: 2-[(2,5-dimethylphenyl)thio]-N-(2-methylpropyl)-3-pyridinecarboxamide IUPAC Name: 2-(2,5-dimethylphenyl)sulfanyl-N-(2-methylpropyl)pyridine-3-carboxamide Traditional Name: 2-[(2,5-dimethylphenyl)thio]-N-isobutyl-nicotinamide Formula: C18H22N2OS MolecularWeight: 314.44508

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)SC2=C(C=CC=N2)C(=O)NCC(C)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)SC2=C(C=CC=N2)C(=O)NCC(C)C

InChI

InChI=1S/C18H22N2OS/c1-12(2)11-20-17(21)15-6-5-9-19-18(15)22-16-10-13(3)7-8-14(16)4/h5-10,12H,11H2,1-4H3,(H,20,21)