N-[(2S)-butan-2-yl]-2-(2,5-dimethylphenyl)sulfanyl-pyridine-3-carboxamide

Systemtic Name: N-[(2S)-butan-2-yl]-2-(2,5-dimethylphenyl)sulfanyl-pyridine-3-carboxamide Openeye Name: 2-(2,5-dimethylphenyl)sulfanyl-N-[(1S)-1-methylpropyl]pyridine-3-carboxamide CAS Name: N-[(2S)-butan-2-yl]-2-[(2,5-dimethylphenyl)thio]-3-pyridinecarboxamide IUPAC Name: N-[(2S)-butan-2-yl]-2-(2,5-dimethylphenyl)sulfanylpyridine-3-carboxamide Traditional Name: 2-[(2,5-dimethylphenyl)thio]-N-[(1S)-1-methylpropyl]nicotinamide Formula: C18H22N2OS MolecularWeight: 314.44508

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)C1=C(N=CC=C1)SC2=C(C=CC(=C2)C)C

Isomeric SMILES

CC[C@H](C)NC(=O)C1=C(N=CC=C1)SC2=C(C=CC(=C2)C)C

InChI

InChI=1S/C18H22N2OS/c1-5-14(4)20-17(21)15-7-6-10-19-18(15)22-16-11-12(2)8-9-13(16)3/h6-11,14H,5H2,1-4H3,(H,20,21)/t14-/m0/s1