2-(3-oxidanylidene-2H-[1,2,4]triazolo[4,3-a]pyridin-8-yl)ethyl 4-methylbenzenesulfonate

Systemtic Name: 2-(3-oxidanylidene-2H-[1,2,4]triazolo[4,3-a]pyridin-8-yl)ethyl 4-methylbenzenesulfonate Openeye Name: 2-(3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridin-8-yl)ethyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 2-(3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridin-8-yl)ethyl ester IUPAC Name: 2-(3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridin-8-yl)ethyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 2-(3-keto-2H-[1,2,4]triazolo[4,3-a]pyridin-8-yl)ethyl ester Formula: C15H15N3O4S MolecularWeight: 333.3623

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCC2=CC=CN3C2=NNC3=O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCC2=CC=CN3C2=NNC3=O

InChI

InChI=1S/C15H15N3O4S/c1-11-4-6-13(7-5-11)23(20,21)22-10-8-12-3-2-9-18-14(12)16-17-15(18)19/h2-7,9H,8,10H2,1H3,(H,17,19)