4-(3-cyclopropyl-5-sulfanidyl-1,2,4-triazol-4-yl)benzoate

Systemtic Name: 4-(3-cyclopropyl-5-sulfanidyl-1,2,4-triazol-4-yl)benzoate Openeye Name: 4-(3-cyclopropyl-5-sulfido-1,2,4-triazol-4-yl)benzoate CAS Name: 4-(3-cyclopropyl-5-sulfido-1,2,4-triazol-4-yl)benzoate IUPAC Name: 4-(3-cyclopropyl-5-sulfido-1,2,4-triazol-4-yl)benzoate Traditional Name: 4-(3-cyclopropyl-5-sulfido-1,2,4-triazol-4-yl)benzoate Formula: C12H9N3O2S-2 MolecularWeight: 259.28376

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NN=C(N2C3=CC=C(C=C3)C(=O)[O-])[S-]

Isomeric SMILES

C1CC1C2=NN=C(N2C3=CC=C(C=C3)C(=O)[O-])[S-]

InChI

InChI=1S/C12H11N3O2S/c16-11(17)8-3-5-9(6-4-8)15-10(7-1-2-7)13-14-12(15)18/h3-7H,1-2H2,(H,14,18)(H,16,17)/p-2