2-[1-(4-bromophenyl)-3-methyl-5-oxidanylidene-1,2,4-triazol-4-yl]ethyl methanesulfonate

Systemtic Name: 2-[1-(4-bromophenyl)-3-methyl-5-oxidanylidene-1,2,4-triazol-4-yl]ethyl methanesulfonate Openeye Name: 2-[1-(4-bromophenyl)-3-methyl-5-oxo-1,2,4-triazol-4-yl]ethyl methanesulfonate CAS Name: methanesulfonic acid 2-[1-(4-bromophenyl)-3-methyl-5-oxo-1,2,4-triazol-4-yl]ethyl ester IUPAC Name: 2-[1-(4-bromophenyl)-3-methyl-5-oxo-1,2,4-triazol-4-yl]ethyl methanesulfonate Traditional Name: methanesulfonic acid 2-[1-(4-bromophenyl)-5-keto-3-methyl-1,2,4-triazol-4-yl]ethyl ester Formula: C12H14BrN3O4S MolecularWeight: 376.22626

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)N1CCOS(=O)(=O)C)C2=CC=C(C=C2)Br

Isomeric SMILES

CC1=NN(C(=O)N1CCOS(=O)(=O)C)C2=CC=C(C=C2)Br

InChI

InChI=1S/C12H14BrN3O4S/c1-9-14-16(11-5-3-10(13)4-6-11)12(17)15(9)7-8-20-21(2,18)19/h3-6H,7-8H2,1-2H3