4-[3-(3,5-dimethoxyphenyl)-5-sulfanidyl-1,2,4-triazol-4-yl]benzoate

Systemtic Name: 4-[3-(3,5-dimethoxyphenyl)-5-sulfanidyl-1,2,4-triazol-4-yl]benzoate Openeye Name: 4-[3-(3,5-dimethoxyphenyl)-5-sulfido-1,2,4-triazol-4-yl]benzoate CAS Name: 4-[3-(3,5-dimethoxyphenyl)-5-sulfido-1,2,4-triazol-4-yl]benzoate IUPAC Name: 4-[3-(3,5-dimethoxyphenyl)-5-sulfido-1,2,4-triazol-4-yl]benzoate Traditional Name: 4-[3-(3,5-dimethoxyphenyl)-5-sulfido-1,2,4-triazol-4-yl]benzoate Formula: C17H13N3O4S-2 MolecularWeight: 355.36782

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)C2=NN=C(N2C3=CC=C(C=C3)C(=O)[O-])[S-])OC

Isomeric SMILES

COC1=CC(=CC(=C1)C2=NN=C(N2C3=CC=C(C=C3)C(=O)[O-])[S-])OC

InChI

InChI=1S/C17H15N3O4S/c1-23-13-7-11(8-14(9-13)24-2)15-18-19-17(25)20(15)12-5-3-10(4-6-12)16(21)22/h3-9H,1-2H3,(H,19,25)(H,21,22)/p-2