3-[2-[3-cyano-6-methyl-4-(trifluoromethyl)pyridin-2-yl]sulfanylethanoyl-phenyl-amino]propanamide

Systemtic Name: 3-[2-[3-cyano-6-methyl-4-(trifluoromethyl)pyridin-2-yl]sulfanylethanoyl-phenyl-amino]propanamide Openeye Name: 3-(N-[2-[[3-cyano-6-methyl-4-(trifluoromethyl)-2-pyridyl]sulfanyl]acetyl]anilino)propanamide CAS Name: 3-(N-[2-[[3-cyano-6-methyl-4-(trifluoromethyl)-2-pyridinyl]thio]-1-oxoethyl]anilino)propanamide IUPAC Name: 3-(N-[2-[3-cyano-6-methyl-4-(trifluoromethyl)pyridin-2-yl]sulfanylacetyl]anilino)propanamide Traditional Name: 3-(N-[2-[[3-cyano-6-methyl-4-(trifluoromethyl)-2-pyridyl]thio]acetyl]anilino)propionamide Formula: C19H17F3N4O2S MolecularWeight: 422.42409

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C(=C1)C(F)(F)F)C#N)SCC(=O)N(CCC(=O)N)C2=CC=CC=C2

Isomeric SMILES

CC1=NC(=C(C(=C1)C(F)(F)F)C#N)SCC(=O)N(CCC(=O)N)C2=CC=CC=C2

InChI

InChI=1S/C19H17F3N4O2S/c1-12-9-15(19(20,21)22)14(10-23)18(25-12)29-11-17(28)26(8-7-16(24)27)13-5-3-2-4-6-13/h2-6,9H,7-8,11H2,1H3,(H2,24,27)