5-[[5-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]furan-2-carboxylate

Systemtic Name: 5-[[5-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]furan-2-carboxylate Openeye Name: 5-[[5-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]furan-2-carboxylate CAS Name: 5-[[[5-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]thio]methyl]-2-furancarboxylate IUPAC Name: 5-[[5-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]furan-2-carboxylate Traditional Name: 5-[[[5-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]thio]methyl]-2-furoate Formula: C14H9ClN3O3S- MolecularWeight: 334.75756

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=NC(=NN2)SCC3=CC=C(O3)C(=O)[O-])Cl

Isomeric SMILES

C1=CC(=CC=C1C2=NC(=NN2)SCC3=CC=C(O3)C(=O)[O-])Cl

InChI

InChI=1S/C14H10ClN3O3S/c15-9-3-1-8(2-4-9)12-16-14(18-17-12)22-7-10-5-6-11(21-10)13(19)20/h1-6H,7H2,(H,19,20)(H,16,17,18)/p-1