(2-methoxy-2-oxidanylidene-ethyl)-[(5-oxidanylidene-4-prop-2-enyl-1-sulfanylidene-[1,2,4]triazolo[4,3-a]quinazolin-2-yl)methyl]-[2,2,2-tris(fluoranyl)ethyl]azanium

Systemtic Name: (2-methoxy-2-oxidanylidene-ethyl)-[(5-oxidanylidene-4-prop-2-enyl-1-sulfanylidene-[1,2,4]triazolo[4,3-a]quinazolin-2-yl)methyl]-[2,2,2-tris(fluoranyl)ethyl]azanium Openeye Name: (4-allyl-5-oxo-1-thioxo-[1,2,4]triazolo[4,3-a]quinazolin-2-yl)methyl-(2-methoxy-2-oxo-ethyl)-(2,2,2-trifluoroethyl)ammonium CAS Name: (2-methoxy-2-oxoethyl)-[(5-oxo-4-prop-2-enyl-1-sulfanylidene-[1,2,4]triazolo[4,3-a]quinazolin-2-yl)methyl]-(2,2,2-trifluoroethyl)ammonium IUPAC Name: (2-methoxy-2-oxoethyl)-[(5-oxo-4-prop-2-enyl-1-sulfanylidene-[1,2,4]triazolo[4,3-a]quinazolin-2-yl)methyl]-(2,2,2-trifluoroethyl)azanium Traditional Name: (4-allyl-5-keto-1-thioxo-[1,2,4]triazolo[4,3-a]quinazolin-2-yl)methyl-(2-keto-2-methoxy-ethyl)-(2,2,2-trifluoroethyl)ammonium Formula: C18H19F3N5O3S+ MolecularWeight: 442.43537

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C[NH+](CC(F)(F)F)CN1C(=S)N2C3=CC=CC=C3C(=O)N(C2=N1)CC=C

Isomeric SMILES

COC(=O)C[NH+](CC(F)(F)F)CN1C(=S)N2C3=CC=CC=C3C(=O)N(C2=N1)CC=C

InChI

InChI=1S/C18H18F3N5O3S/c1-3-8-24-15(28)12-6-4-5-7-13(12)26-16(24)22-25(17(26)30)11-23(9-14(27)29-2)10-18(19,20)21/h3-7H,1,8-11H2,2H3/p+1