N-[4-chloranyl-3-(trifluoromethyl)phenyl]-2-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanyl-ethanamide

Systemtic Name: N-[4-chloranyl-3-(trifluoromethyl)phenyl]-2-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanyl-ethanamide Openeye Name: N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[5-(p-tolyl)thieno[2,3-d]pyrimidin-4-yl]sulfanyl-acetamide CAS Name: N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[[5-(4-methylphenyl)-4-thieno[2,3-d]pyrimidinyl]thio]acetamide IUPAC Name: N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylacetamide Traditional Name: N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[[5-(p-tolyl)thieno[2,3-d]pyrimidin-4-yl]thio]acetamide Formula: C22H15ClF3N3OS2 MolecularWeight: 493.95221

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CSC3=C2C(=NC=N3)SCC(=O)NC4=CC(=C(C=C4)Cl)C(F)(F)F

Isomeric SMILES

CC1=CC=C(C=C1)C2=CSC3=C2C(=NC=N3)SCC(=O)NC4=CC(=C(C=C4)Cl)C(F)(F)F

InChI

InChI=1S/C22H15ClF3N3OS2/c1-12-2-4-13(5-3-12)15-9-31-20-19(15)21(28-11-27-20)32-10-18(30)29-14-6-7-17(23)16(8-14)22(24,25)26/h2-9,11H,10H2,1H3,(H,29,30)