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

Systemtic Name: [3-(1,2,3,4-tetrazol-1-yl)phenyl] 2-bromanyl-4-methyl-benzenesulfonate Openeye Name: [3-(tetrazol-1-yl)phenyl] 2-bromo-4-methyl-benzenesulfonate CAS Name: 2-bromo-4-methylbenzenesulfonic acid [3-(1-tetrazolyl)phenyl] ester IUPAC Name: [3-(tetrazol-1-yl)phenyl] 2-bromo-4-methylbenzenesulfonate Traditional Name: 2-bromo-4-methyl-benzenesulfonic acid [3-(tetrazol-1-yl)phenyl] ester Formula: C14H11BrN4O3S MolecularWeight: 395.23114

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)S(=O)(=O)OC2=CC=CC(=C2)N3C=NN=N3)Br

Isomeric SMILES

CC1=CC(=C(C=C1)S(=O)(=O)OC2=CC=CC(=C2)N3C=NN=N3)Br

InChI

InChI=1S/C14H11BrN4O3S/c1-10-5-6-14(13(15)7-10)23(20,21)22-12-4-2-3-11(8-12)19-9-16-17-18-19/h2-9H,1H3