3-[(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)methyl]benzoic acid

Systemtic Name: 3-[(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)methyl]benzoic acid Openeye Name: 3-[[3-(2-thienyl)-5-thioxo-1H-1,2,4-triazol-4-yl]methyl]benzoic acid CAS Name: 3-[(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)methyl]benzoic acid IUPAC Name: 3-[(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)methyl]benzoic acid Traditional Name: 3-[[3-(2-thienyl)-5-thioxo-1H-1,2,4-triazol-4-yl]methyl]benzoic acid Formula: C14H11N3O2S2 MolecularWeight: 317.38604

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)CN2C(=NNC2=S)C3=CC=CS3)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)CN2C(=NNC2=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)