2-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2,3,4-tetrazol-5-yl]sulfanyl]-1-(4-methoxyphenyl)ethanone

Systemtic Name: 2-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2,3,4-tetrazol-5-yl]sulfanyl]-1-(4-methoxyphenyl)ethanone Openeye Name: 2-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)tetrazol-5-yl]sulfanyl-1-(4-methoxyphenyl)ethanone CAS Name: 2-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-tetrazolyl]thio]-1-(4-methoxyphenyl)ethanone IUPAC Name: 2-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)tetrazol-5-yl]sulfanyl-1-(4-methoxyphenyl)ethanone Traditional Name: 2-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)tetrazol-5-yl]thio]-1-(4-methoxyphenyl)ethanone Formula: C18H16N4O4S MolecularWeight: 384.40904

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)CSC2=NN=NN2C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)CSC2=NN=NN2C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C18H16N4O4S/c1-24-14-5-2-12(3-6-14)15(23)11-27-18-19-20-21-22(18)13-4-7-16-17(10-13)26-9-8-25-16/h2-7,10H,8-9,11H2,1H3