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

Systemtic Name: (5-phenyl-1,2,4-triazin-3-yl) 4-methylbenzenesulfonate Openeye Name: (5-phenyl-1,2,4-triazin-3-yl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (5-phenyl-1,2,4-triazin-3-yl) ester IUPAC Name: (5-phenyl-1,2,4-triazin-3-yl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (5-phenyl-1,2,4-triazin-3-yl) ester Formula: C16H13N3O3S MolecularWeight: 327.35772

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=NC(=CN=N2)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=NC(=CN=N2)C3=CC=CC=C3

InChI

InChI=1S/C16H13N3O3S/c1-12-7-9-14(10-8-12)23(20,21)22-16-18-15(11-17-19-16)13-5-3-2-4-6-13/h2-11H,1H3