[3-(1,2,3,4-tetrazol-1-yl)phenyl] 2,5-dimethylthiophene-3-sulfonate

Systemtic Name: [3-(1,2,3,4-tetrazol-1-yl)phenyl] 2,5-dimethylthiophene-3-sulfonate Openeye Name: [3-(tetrazol-1-yl)phenyl] 2,5-dimethylthiophene-3-sulfonate CAS Name: 2,5-dimethyl-3-thiophenesulfonic acid [3-(1-tetrazolyl)phenyl] ester IUPAC Name: [3-(tetrazol-1-yl)phenyl] 2,5-dimethylthiophene-3-sulfonate Traditional Name: 2,5-dimethylthiophene-3-sulfonic acid [3-(tetrazol-1-yl)phenyl] ester Formula: C13H12N4O3S2 MolecularWeight: 336.38938

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)C)S(=O)(=O)OC2=CC=CC(=C2)N3C=NN=N3

Isomeric SMILES

CC1=CC(=C(S1)C)S(=O)(=O)OC2=CC=CC(=C2)N3C=NN=N3

InChI

InChI=1S/C13H12N4O3S2/c1-9-6-13(10(2)21-9)22(18,19)20-12-5-3-4-11(7-12)17-8-14-15-16-17/h3-8H,1-2H3