3-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzoic acid

Systemtic Name: 3-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzoic acid Openeye Name: 3-[[4-ethyl-5-(2-furyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzoic acid CAS Name: 3-[[[4-ethyl-5-(2-furanyl)-1,2,4-triazol-3-yl]thio]methyl]benzoic acid IUPAC Name: 3-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzoic acid Traditional Name: 3-[[[4-ethyl-5-(2-furyl)-1,2,4-triazol-3-yl]thio]methyl]benzoic acid Formula: C16H15N3O3S MolecularWeight: 329.3736

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=CC=CC(=C2)C(=O)O)C3=CC=CO3

Isomeric SMILES

CCN1C(=NN=C1SCC2=CC=CC(=C2)C(=O)O)C3=CC=CO3

InChI

InChI=1S/C16H15N3O3S/c1-2-19-14(13-7-4-8-22-13)17-18-16(19)23-10-11-5-3-6-12(9-11)15(20)21/h3-9H,2,10H2,1H3,(H,20,21)