N-(3-chloranyl-4-pyrrol-1-yl-phenyl)-2-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(3-chloranyl-4-pyrrol-1-yl-phenyl)-2-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-ethanamide Openeye Name: N-(3-chloro-4-pyrrol-1-yl-phenyl)-2-[4-(2-thienyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-acetamide CAS Name: N-[3-chloro-4-(1-pyrrolyl)phenyl]-2-[[4-thiophen-2-yl-6-(trifluoromethyl)-2-pyrimidinyl]thio]acetamide IUPAC Name: N-(3-chloro-4-pyrrol-1-ylphenyl)-2-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide Traditional Name: N-(3-chloro-4-pyrrol-1-yl-phenyl)-2-[[4-(2-thienyl)-6-(trifluoromethyl)pyrimidin-2-yl]thio]acetamide Formula: C21H14ClF3N4OS2 MolecularWeight: 494.94027

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(C=C1)C2=C(C=C(C=C2)NC(=O)CSC3=NC(=CC(=N3)C(F)(F)F)C4=CC=CS4)Cl

Isomeric SMILES

C1=CN(C=C1)C2=C(C=C(C=C2)NC(=O)CSC3=NC(=CC(=N3)C(F)(F)F)C4=CC=CS4)Cl

InChI

InChI=1S/C21H14ClF3N4OS2/c22-14-10-13(5-6-16(14)29-7-1-2-8-29)26-19(30)12-32-20-27-15(17-4-3-9-31-17)11-18(28-20)21(23,24)25/h1-11H,12H2,(H,26,30)