[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl] 2-bromanyl-4-methyl-benzenesulfonate

Systemtic Name: [4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl] 2-bromanyl-4-methyl-benzenesulfonate Openeye Name: [4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl] 2-bromo-4-methyl-benzenesulfonate CAS Name: 2-bromo-4-methylbenzenesulfonic acid [4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl] ester IUPAC Name: [4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl] 2-bromo-4-methylbenzenesulfonate Traditional Name: 2-bromo-4-methyl-benzenesulfonic acid [4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl] ester Formula: C16H13BrN2O4S MolecularWeight: 409.25442

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)C3=NOC(=N3)C)Br

Isomeric SMILES

CC1=CC(=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)C3=NOC(=N3)C)Br

InChI

InChI=1S/C16H13BrN2O4S/c1-10-3-8-15(14(17)9-10)24(20,21)23-13-6-4-12(5-7-13)16-18-11(2)22-19-16/h3-9H,1-2H3