4-methoxy-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]benzenesulfonimidic acid

Systemtic Name: 4-methoxy-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]benzenesulfonimidic acid Openeye Name: N-(5-isobutyl-1,3,4-thiadiazol-2-yl)-4-methoxy-benzenesulfonimidic acid CAS Name: 4-methoxy-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]benzenesulfonimidic acid IUPAC Name: 4-methoxy-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]benzenesulfonimidic acid Traditional Name: N-(5-isobutyl-1,3,4-thiadiazol-2-yl)-4-methoxy-benzenesulfonimidic acid Formula: C13H17N3O3S2 MolecularWeight: 327.42238

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=NN=C(S1)N=S(=O)(C2=CC=C(C=C2)OC)O

Isomeric SMILES

CC(C)CC1=NN=C(S1)N=S(=O)(C2=CC=C(C=C2)OC)O

InChI

InChI=1S/C13H17N3O3S2/c1-9(2)8-12-14-15-13(20-12)16-21(17,18)11-6-4-10(19-3)5-7-11/h4-7,9H,8H2,1-3H3,(H,15,16,17,18)