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

Systemtic Name: 3-[(3-sulfanidyl-5-thiophen-2-yl-1,2,4-triazol-4-yl)methyl]benzoate Openeye Name: 3-[[3-sulfido-5-(2-thienyl)-1,2,4-triazol-4-yl]methyl]benzoate CAS Name: 3-[(3-sulfido-5-thiophen-2-yl-1,2,4-triazol-4-yl)methyl]benzoate IUPAC Name: 3-[(3-sulfido-5-thiophen-2-yl-1,2,4-triazol-4-yl)methyl]benzoate Traditional Name: 3-[[3-sulfido-5-(2-thienyl)-1,2,4-triazol-4-yl]methyl]benzoate Formula: C14H9N3O2S2-2 MolecularWeight: 315.37016

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)CN2C(=NN=C2[S-])C3=CC=CS3)C(=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)CN2C(=NN=C2[S-])C3=CC=CS3)C(=O)[O-]

InChI

InChI=1S/C14H11N3O2S2/c18-13(19)10-4-1-3-9(7-10)8-17-12(15-16-14(17)20)11-5-2-6-21-11/h1-7H,8H2,(H,16,20)(H,18,19)/p-2