(4-chloranylpyrrolo[2,1-f][1,2,4]triazin-5-yl) 4-methylbenzenesulfonate

Systemtic Name: (4-chloranylpyrrolo[2,1-f][1,2,4]triazin-5-yl) 4-methylbenzenesulfonate Openeye Name: (4-chloropyrrolo[2,1-f][1,2,4]triazin-5-yl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (4-chloro-5-pyrrolo[2,1-f][1,2,4]triazinyl) ester IUPAC Name: (4-chloropyrrolo[2,1-f][1,2,4]triazin-5-yl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (4-chloropyrrolo[2,1-f][1,2,4]triazin-5-yl) ester Formula: C13H10ClN3O3S MolecularWeight: 323.7548

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=C3C(=NC=NN3C=C2)Cl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=C3C(=NC=NN3C=C2)Cl

InChI

InChI=1S/C13H10ClN3O3S/c1-9-2-4-10(5-3-9)21(18,19)20-11-6-7-17-12(11)13(14)15-8-16-17/h2-8H,1H3