N-[4-chloranyl-3-(trifluoromethyl)phenyl]-2-(5-pyridin-2-yl-1-pyrrol-1-yl-pyrrol-2-yl)sulfanyl-ethanamide

Systemtic Name: N-[4-chloranyl-3-(trifluoromethyl)phenyl]-2-(5-pyridin-2-yl-1-pyrrol-1-yl-pyrrol-2-yl)sulfanyl-ethanamide Openeye Name: N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[5-(2-pyridyl)-1-pyrrol-1-yl-pyrrol-2-yl]sulfanyl-acetamide CAS Name: N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[[5-(2-pyridinyl)-1-(1-pyrrolyl)-2-pyrrolyl]thio]acetamide IUPAC Name: N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(5-pyridin-2-yl-1-pyrrol-1-ylpyrrol-2-yl)sulfanylacetamide Traditional Name: N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[[5-(2-pyridyl)-1-pyrrol-1-yl-pyrrol-2-yl]thio]acetamide Formula: C22H16ClF3N4OS MolecularWeight: 476.90185

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)C2=CC=C(N2N3C=CC=C3)SCC(=O)NC4=CC(=C(C=C4)Cl)C(F)(F)F

Isomeric SMILES

C1=CC=NC(=C1)C2=CC=C(N2N3C=CC=C3)SCC(=O)NC4=CC(=C(C=C4)Cl)C(F)(F)F

InChI

InChI=1S/C22H16ClF3N4OS/c23-17-7-6-15(13-16(17)22(24,25)26)28-20(31)14-32-21-9-8-19(18-5-1-2-10-27-18)30(21)29-11-3-4-12-29/h1-13H,14H2,(H,28,31)