2-[[4-butyl-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone

Systemtic Name: 2-[[4-butyl-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone Openeye Name: 2-[[4-butyl-5-(2-methyl-3-furyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone CAS Name: 2-[[4-butyl-5-(2-methyl-3-furanyl)-1,2,4-triazol-3-yl]thio]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone IUPAC Name: 2-[[4-butyl-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone Traditional Name: 2-[[4-butyl-5-(2-methyl-3-furyl)-1,2,4-triazol-3-yl]thio]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone Formula: C21H23N3O4S MolecularWeight: 413.49002

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NN=C1SCC(=O)C2=CC3=C(C=C2)OCCO3)C4=C(OC=C4)C

Isomeric SMILES

CCCCN1C(=NN=C1SCC(=O)C2=CC3=C(C=C2)OCCO3)C4=C(OC=C4)C

InChI

InChI=1S/C21H23N3O4S/c1-3-4-8-24-20(16-7-9-26-14(16)2)22-23-21(24)29-13-17(25)15-5-6-18-19(12-15)28-11-10-27-18/h5-7,9,12H,3-4,8,10-11,13H2,1-2H3