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

Systemtic Name: 2-[3-methyl-1-(4-methylphenyl)-5-oxidanylidene-1,2,4-triazol-4-yl]ethyl methanesulfonate Openeye Name: 2-[3-methyl-5-oxo-1-(p-tolyl)-1,2,4-triazol-4-yl]ethyl methanesulfonate CAS Name: methanesulfonic acid 2-[3-methyl-1-(4-methylphenyl)-5-oxo-1,2,4-triazol-4-yl]ethyl ester IUPAC Name: 2-[3-methyl-1-(4-methylphenyl)-5-oxo-1,2,4-triazol-4-yl]ethyl methanesulfonate Traditional Name: methanesulfonic acid 2-[5-keto-3-methyl-1-(p-tolyl)-1,2,4-triazol-4-yl]ethyl ester Formula: C13H17N3O4S MolecularWeight: 311.35678

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=O)N(C(=N2)C)CCOS(=O)(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=O)N(C(=N2)C)CCOS(=O)(=O)C

InChI

InChI=1S/C13H17N3O4S/c1-10-4-6-12(7-5-10)16-13(17)15(11(2)14-16)8-9-20-21(3,18)19/h4-7H,8-9H2,1-3H3