4-[3-[(2-methylphenoxy)methyl]-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-yl]-3-(4-methylphenyl)-2H-1,2,3-oxadiazol-3-ium-5-one

Systemtic Name: 4-[3-[(2-methylphenoxy)methyl]-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-yl]-3-(4-methylphenyl)-2H-1,2,3-oxadiazol-3-ium-5-one Openeye Name: 4-[3-[(2-methylphenoxy)methyl]-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-yl]-3-(p-tolyl)-2H-oxadiazol-3-ium-5-one CAS Name: 4-[3-[(2-methylphenoxy)methyl]-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-yl]-3-(4-methylphenyl)-2H-oxadiazol-3-ium-5-one IUPAC Name: 4-[3-[(2-methylphenoxy)methyl]-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-yl]-3-(4-methylphenyl)-2H-oxadiazol-3-ium-5-one Traditional Name: 4-[3-[(2-methylphenoxy)methyl]-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-yl]-3-(p-tolyl)-2H-oxadiazol-3-ium-5-one Formula: C21H19N6O3S+ MolecularWeight: 435.47896

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)[N+]2=C(C(=O)ON2)C3=NN4C(=NN=C4SC3)COC5=CC=CC=C5C

Isomeric SMILES

CC1=CC=C(C=C1)[N+]2=C(C(=O)ON2)C3=NN4C(=NN=C4SC3)COC5=CC=CC=C5C

InChI

InChI=1S/C21H18N6O3S/c1-13-7-9-15(10-8-13)26-19(20(28)30-25-26)16-12-31-21-23-22-18(27(21)24-16)11-29-17-6-4-3-5-14(17)2/h3-10H,11-12H2,1-2H3/p+1