1-(2,4-dimethoxyphenyl)-2-[[1-(furan-2-ylmethyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]ethanone

Systemtic Name: 1-(2,4-dimethoxyphenyl)-2-[[1-(furan-2-ylmethyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]ethanone Openeye Name: 1-(2,4-dimethoxyphenyl)-2-[1-(2-furylmethyl)tetrazol-5-yl]sulfanyl-ethanone CAS Name: 1-(2,4-dimethoxyphenyl)-2-[[1-(2-furanylmethyl)-5-tetrazolyl]thio]ethanone IUPAC Name: 1-(2,4-dimethoxyphenyl)-2-[1-(furan-2-ylmethyl)tetrazol-5-yl]sulfanylethanone Traditional Name: 1-(2,4-dimethoxyphenyl)-2-[[1-(2-furfuryl)tetrazol-5-yl]thio]ethanone Formula: C16H16N4O4S MolecularWeight: 360.38764

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C(=O)CSC2=NN=NN2CC3=CC=CO3)OC

Isomeric SMILES

COC1=CC(=C(C=C1)C(=O)CSC2=NN=NN2CC3=CC=CO3)OC

InChI

InChI=1S/C16H16N4O4S/c1-22-11-5-6-13(15(8-11)23-2)14(21)10-25-16-17-18-19-20(16)9-12-4-3-7-24-12/h3-8H,9-10H2,1-2H3