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

Systemtic Name: 4-[[5-(furan-2-yl)-3-sulfanylidene-1H-1,2,4-triazol-2-yl]methylamino]benzoic acid Openeye Name: 4-[[5-(2-furyl)-3-thioxo-1H-1,2,4-triazol-2-yl]methylamino]benzoic acid CAS Name: 4-[[5-(2-furanyl)-3-sulfanylidene-1H-1,2,4-triazol-2-yl]methylamino]benzoic acid IUPAC Name: 4-[[5-(furan-2-yl)-3-sulfanylidene-1H-1,2,4-triazol-2-yl]methylamino]benzoic acid Traditional Name: 4-[[5-(2-furyl)-3-thioxo-1H-1,2,4-triazol-2-yl]methylamino]benzoic acid Formula: C14H12N4O3S MolecularWeight: 316.33508

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Descriptors Computed from Structure

Canonical SMILES:

C1=COC(=C1)C2=NC(=S)N(N2)CNC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1=COC(=C1)C2=NC(=S)N(N2)CNC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C14H12N4O3S/c19-13(20)9-3-5-10(6-4-9)15-8-18-14(22)16-12(17-18)11-2-1-7-21-11/h1-7,15H,8H2,(H,19,20)(H,16,17,22)