(4-oxidanylidene-1H-pyrrolo[2,1-f][1,2,4]triazin-5-yl) 4-methylbenzenesulfonate

Systemtic Name: (4-oxidanylidene-1H-pyrrolo[2,1-f][1,2,4]triazin-5-yl) 4-methylbenzenesulfonate Openeye Name: (4-oxo-1H-pyrrolo[2,1-f][1,2,4]triazin-5-yl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (4-oxo-1H-pyrrolo[2,1-f][1,2,4]triazin-5-yl) ester IUPAC Name: (4-oxo-1H-pyrrolo[2,1-f][1,2,4]triazin-5-yl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (4-keto-1H-pyrrolo[2,1-f][1,2,4]triazin-5-yl) ester Formula: C13H11N3O4S MolecularWeight: 305.30914

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=C3C(=O)N=CNN3C=C2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=C3C(=O)N=CNN3C=C2

InChI

InChI=1S/C13H11N3O4S/c1-9-2-4-10(5-3-9)21(18,19)20-11-6-7-16-12(11)13(17)14-8-15-16/h2-8H,1H3,(H,14,15,17)