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

Systemtic Name: 4-[3-(2-ethoxy-2-oxidanylidene-ethyl)sulfanyl-5-(furan-2-yl)-1,2,4-triazol-4-yl]benzoic acid Openeye Name: 4-[3-(2-ethoxy-2-oxo-ethyl)sulfanyl-5-(2-furyl)-1,2,4-triazol-4-yl]benzoic acid CAS Name: 4-[3-[(2-ethoxy-2-oxoethyl)thio]-5-(2-furanyl)-1,2,4-triazol-4-yl]benzoic acid IUPAC Name: 4-[3-(2-ethoxy-2-oxoethyl)sulfanyl-5-(furan-2-yl)-1,2,4-triazol-4-yl]benzoic acid Traditional Name: 4-[3-[(2-ethoxy-2-keto-ethyl)thio]-5-(2-furyl)-1,2,4-triazol-4-yl]benzoic acid Formula: C17H15N3O5S MolecularWeight: 373.3831

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NN=C(N1C2=CC=C(C=C2)C(=O)O)C3=CC=CO3

Isomeric SMILES

CCOC(=O)CSC1=NN=C(N1C2=CC=C(C=C2)C(=O)O)C3=CC=CO3

InChI

InChI=1S/C17H15N3O5S/c1-2-24-14(21)10-26-17-19-18-15(13-4-3-9-25-13)20(17)12-7-5-11(6-8-12)16(22)23/h3-9H,2,10H2,1H3,(H,22,23)