4-[(4-methyl-5-phenacylsulfanyl-1,2,4-triazol-3-yl)methyl]-6-(trifluoromethyl)-1,4-benzothiazin-3-one

Systemtic Name: 4-[(4-methyl-5-phenacylsulfanyl-1,2,4-triazol-3-yl)methyl]-6-(trifluoromethyl)-1,4-benzothiazin-3-one Openeye Name: 4-[(4-methyl-5-phenacylsulfanyl-1,2,4-triazol-3-yl)methyl]-6-(trifluoromethyl)-1,4-benzothiazin-3-one CAS Name: 4-[[4-methyl-5-(phenacylthio)-1,2,4-triazol-3-yl]methyl]-6-(trifluoromethyl)-1,4-benzothiazin-3-one IUPAC Name: 4-[(4-methyl-5-phenacylsulfanyl-1,2,4-triazol-3-yl)methyl]-6-(trifluoromethyl)-1,4-benzothiazin-3-one Traditional Name: 4-[[4-methyl-5-(phenacylthio)-1,2,4-triazol-3-yl]methyl]-6-(trifluoromethyl)-1,4-benzothiazin-3-one Formula: C21H17F3N4O2S2 MolecularWeight: 478.51049

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)C2=CC=CC=C2)CN3C(=O)CSC4=C3C=C(C=C4)C(F)(F)F

Isomeric SMILES

CN1C(=NN=C1SCC(=O)C2=CC=CC=C2)CN3C(=O)CSC4=C3C=C(C=C4)C(F)(F)F

InChI

InChI=1S/C21H17F3N4O2S2/c1-27-18(25-26-20(27)32-11-16(29)13-5-3-2-4-6-13)10-28-15-9-14(21(22,23)24)7-8-17(15)31-12-19(28)30/h2-9H,10-12H2,1H3