N-(1,3-benzothiazol-2-yl)-3-[3-cyano-6-methyl-4-(trifluoromethyl)pyridin-2-yl]sulfanyl-propanamide

Systemtic Name: N-(1,3-benzothiazol-2-yl)-3-[3-cyano-6-methyl-4-(trifluoromethyl)pyridin-2-yl]sulfanyl-propanamide Openeye Name: N-(1,3-benzothiazol-2-yl)-3-[[3-cyano-6-methyl-4-(trifluoromethyl)-2-pyridyl]sulfanyl]propanamide CAS Name: N-(1,3-benzothiazol-2-yl)-3-[[3-cyano-6-methyl-4-(trifluoromethyl)-2-pyridinyl]thio]propanamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-3-[3-cyano-6-methyl-4-(trifluoromethyl)pyridin-2-yl]sulfanylpropanamide Traditional Name: N-(1,3-benzothiazol-2-yl)-3-[[3-cyano-6-methyl-4-(trifluoromethyl)-2-pyridyl]thio]propionamide Formula: C18H13F3N4OS2 MolecularWeight: 422.44723

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C(=C1)C(F)(F)F)C#N)SCCC(=O)NC2=NC3=CC=CC=C3S2

Isomeric SMILES

CC1=NC(=C(C(=C1)C(F)(F)F)C#N)SCCC(=O)NC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C18H13F3N4OS2/c1-10-8-12(18(19,20)21)11(9-22)16(23-10)27-7-6-15(26)25-17-24-13-4-2-3-5-14(13)28-17/h2-5,8H,6-7H2,1H3,(H,24,25,26)