2,2-dimethylpropyl (5-phenyl-1,2,4-triazin-3-yl)methanesulfonate

Systemtic Name: 2,2-dimethylpropyl (5-phenyl-1,2,4-triazin-3-yl)methanesulfonate Openeye Name: 2,2-dimethylpropyl (5-phenyl-1,2,4-triazin-3-yl)methanesulfonate CAS Name: (5-phenyl-1,2,4-triazin-3-yl)methanesulfonic acid 2,2-dimethylpropyl ester IUPAC Name: 2,2-dimethylpropyl (5-phenyl-1,2,4-triazin-3-yl)methanesulfonate Traditional Name: (5-phenyl-1,2,4-triazin-3-yl)methanesulfonic acid neopentyl ester Formula: C15H19N3O3S MolecularWeight: 321.39466

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)COS(=O)(=O)CC1=NC(=CN=N1)C2=CC=CC=C2

Isomeric SMILES

CC(C)(C)COS(=O)(=O)CC1=NC(=CN=N1)C2=CC=CC=C2

InChI

InChI=1S/C15H19N3O3S/c1-15(2,3)11-21-22(19,20)10-14-17-13(9-16-18-14)12-7-5-4-6-8-12/h4-9H,10-11H2,1-3H3