1-[5-[[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]methyl]thiophen-2-yl]-2-quinoxalin-2-ylsulfanyl-ethanone

Systemtic Name: 1-[5-[[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]methyl]thiophen-2-yl]-2-quinoxalin-2-ylsulfanyl-ethanone Openeye Name: 1-[5-[[3-chloro-5-(trifluoromethyl)-2-pyridyl]methyl]-2-thienyl]-2-quinoxalin-2-ylsulfanyl-ethanone CAS Name: 1-[5-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-2-thiophenyl]-2-(2-quinoxalinylthio)ethanone IUPAC Name: 1-[5-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methyl]thiophen-2-yl]-2-quinoxalin-2-ylsulfanylethanone Traditional Name: 1-[5-[[3-chloro-5-(trifluoromethyl)-2-pyridyl]methyl]-2-thienyl]-2-(quinoxalin-2-ylthio)ethanone Formula: C21H13ClF3N3OS2 MolecularWeight: 479.92563

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=CC(=N2)SCC(=O)C3=CC=C(S3)CC4=C(C=C(C=N4)C(F)(F)F)Cl

Isomeric SMILES

C1=CC=C2C(=C1)N=CC(=N2)SCC(=O)C3=CC=C(S3)CC4=C(C=C(C=N4)C(F)(F)F)Cl

InChI

InChI=1S/C21H13ClF3N3OS2/c22-14-7-12(21(23,24)25)9-26-17(14)8-13-5-6-19(31-13)18(29)11-30-20-10-27-15-3-1-2-4-16(15)28-20/h1-7,9-10H,8,11H2