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

Systemtic Name: (5-bromanyl-3-nitro-1,2,4-triazol-1-yl)methyl 4-methylbenzenesulfonate Openeye Name: (5-bromo-3-nitro-1,2,4-triazol-1-yl)methyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (5-bromo-3-nitro-1,2,4-triazol-1-yl)methyl ester IUPAC Name: (5-bromo-3-nitro-1,2,4-triazol-1-yl)methyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (5-bromo-3-nitro-1,2,4-triazol-1-yl)methyl ester Formula: C10H9BrN4O5S MolecularWeight: 377.17126

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H9BrN4O5S/c1-7-2-4-8(5-3-7)21(18,19)20-6-14-9(11)12-10(13-14)15(16)17/h2-5H,6H2,1H3