3,4-dimethyl-5-(1,3,4-thiadiazol-2-ylazanidylsulfonyl)benzoate

Systemtic Name: 3,4-dimethyl-5-(1,3,4-thiadiazol-2-ylazanidylsulfonyl)benzoate Openeye Name: 3,4-dimethyl-5-(1,3,4-thiadiazol-2-ylazanidylsulfonyl)benzoate CAS Name: 3,4-dimethyl-5-(1,3,4-thiadiazol-2-ylazanidylsulfonyl)benzoate IUPAC Name: 3,4-dimethyl-5-(1,3,4-thiadiazol-2-ylazanidylsulfonyl)benzoate Traditional Name: 3,4-dimethyl-5-(1,3,4-thiadiazol-2-ylazanidylsulfonyl)benzoate Formula: C11H9N3O4S2-2 MolecularWeight: 311.33686

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)C(=O)[O-])S(=O)(=O)[N-]C2=NN=CS2)C

Isomeric SMILES

CC1=C(C(=CC(=C1)C(=O)[O-])S(=O)(=O)[N-]C2=NN=CS2)C

InChI

InChI=1S/C11H11N3O4S2/c1-6-3-8(10(15)16)4-9(7(6)2)20(17,18)14-11-13-12-5-19-11/h3-5H,1-2H3,(H2,13,14,15,16)/p-2