(5-methyl-3-nitro-1,2,4-triazol-1-yl)methyl 4-methylbenzenesulfonate

Systemtic Name: (5-methyl-3-nitro-1,2,4-triazol-1-yl)methyl 4-methylbenzenesulfonate Openeye Name: (5-methyl-3-nitro-1,2,4-triazol-1-yl)methyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (5-methyl-3-nitro-1,2,4-triazol-1-yl)methyl ester IUPAC Name: (5-methyl-3-nitro-1,2,4-triazol-1-yl)methyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (5-methyl-3-nitro-1,2,4-triazol-1-yl)methyl ester Formula: C11H12N4O5S MolecularWeight: 312.30178

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCN2C(=NC(=N2)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCN2C(=NC(=N2)[N+](=O)[O-])C

InChI

InChI=1S/C11H12N4O5S/c1-8-3-5-10(6-4-8)21(18,19)20-7-14-9(2)12-11(13-14)15(16)17/h3-6H,7H2,1-2H3