[2-[[4-[3,5-bis(oxidanylidene)-1,2,4-triazin-2-yl]-2,6-bis(chloranyl)phenyl]-(4-chlorophenyl)methyl]sulfanylpyrimidin-4-yl] tris(fluoranyl)methanesulfonate

Systemtic Name: [2-[[4-[3,5-bis(oxidanylidene)-1,2,4-triazin-2-yl]-2,6-bis(chloranyl)phenyl]-(4-chlorophenyl)methyl]sulfanylpyrimidin-4-yl] tris(fluoranyl)methanesulfonate Openeye Name: [2-[(4-chlorophenyl)-[2,6-dichloro-4-(3,5-dioxo-1,2,4-triazin-2-yl)phenyl]methyl]sulfanylpyrimidin-4-yl] trifluoromethanesulfonate CAS Name: trifluoromethanesulfonic acid [2-[[(4-chlorophenyl)-[2,6-dichloro-4-(3,5-dioxo-1,2,4-triazin-2-yl)phenyl]methyl]thio]-4-pyrimidinyl] ester IUPAC Name: [2-[(4-chlorophenyl)-[2,6-dichloro-4-(3,5-dioxo-1,2,4-triazin-2-yl)phenyl]methyl]sulfanylpyrimidin-4-yl] trifluoromethanesulfonate Traditional Name: trifluoromethanesulfonic acid [2-[[(4-chlorophenyl)-[2,6-dichloro-4-(3,5-diketo-1,2,4-triazin-2-yl)phenyl]methyl]thio]pyrimidin-4-yl] ester Formula: C21H11Cl3F3N5O5S2 MolecularWeight: 640.82675

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(C2=C(C=C(C=C2Cl)N3C(=O)NC(=O)C=N3)Cl)SC4=NC=CC(=N4)OS(=O)(=O)C(F)(F)F)Cl

Isomeric SMILES

C1=CC(=CC=C1C(C2=C(C=C(C=C2Cl)N3C(=O)NC(=O)C=N3)Cl)SC4=NC=CC(=N4)OS(=O)(=O)C(F)(F)F)Cl

InChI

InChI=1S/C21H11Cl3F3N5O5S2/c22-11-3-1-10(2-4-11)18(38-19-28-6-5-16(31-19)37-39(35,36)21(25,26)27)17-13(23)7-12(8-14(17)24)32-20(34)30-15(33)9-29-32/h1-9,18H,(H,30,33,34)