N-[2-[3-cyano-6-methyl-5-(2-methyl-1,3-thiazol-4-yl)pyridin-2-yl]sulfanylethyl]-4-fluoranyl-benzamide

Systemtic Name: N-[2-[3-cyano-6-methyl-5-(2-methyl-1,3-thiazol-4-yl)pyridin-2-yl]sulfanylethyl]-4-fluoranyl-benzamide Openeye Name: N-[2-[[3-cyano-6-methyl-5-(2-methylthiazol-4-yl)-2-pyridyl]sulfanyl]ethyl]-4-fluoro-benzamide CAS Name: N-[2-[[3-cyano-6-methyl-5-(2-methyl-4-thiazolyl)-2-pyridinyl]thio]ethyl]-4-fluorobenzamide IUPAC Name: N-[2-[3-cyano-6-methyl-5-(2-methyl-1,3-thiazol-4-yl)pyridin-2-yl]sulfanylethyl]-4-fluorobenzamide Traditional Name: N-[2-[[3-cyano-6-methyl-5-(2-methylthiazol-4-yl)-2-pyridyl]thio]ethyl]-4-fluoro-benzamide Formula: C20H17FN4OS2 MolecularWeight: 412.503583

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=N1)SCCNC(=O)C2=CC=C(C=C2)F)C#N)C3=CSC(=N3)C

Isomeric SMILES

CC1=C(C=C(C(=N1)SCCNC(=O)C2=CC=C(C=C2)F)C#N)C3=CSC(=N3)C

InChI

InChI=1S/C20H17FN4OS2/c1-12-17(18-11-28-13(2)25-18)9-15(10-22)20(24-12)27-8-7-23-19(26)14-3-5-16(21)6-4-14/h3-6,9,11H,7-8H2,1-2H3,(H,23,26)