1-[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-pyrrol-3-yl]-2-[[4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone

Systemtic Name: 1-[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-pyrrol-3-yl]-2-[[4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone Openeye Name: 1-[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-pyrrol-3-yl]-2-[[4-(2-furylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 1-[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-3-pyrrolyl]-2-[[4-(2-furanylmethyl)-1,2,4-triazol-3-yl]thio]ethanone IUPAC Name: 1-[1-(1,3-benzodioxol-5-yl)-2,5-dimethylpyrrol-3-yl]-2-[[4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone Traditional Name: 1-[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-pyrrol-3-yl]-2-[[4-(2-furfuryl)-1,2,4-triazol-3-yl]thio]ethanone Formula: C22H20N4O4S MolecularWeight: 436.4836

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC3=C(C=C2)OCO3)C)C(=O)CSC4=NN=CN4CC5=CC=CO5

Isomeric SMILES

CC1=CC(=C(N1C2=CC3=C(C=C2)OCO3)C)C(=O)CSC4=NN=CN4CC5=CC=CO5

InChI

InChI=1S/C22H20N4O4S/c1-14-8-18(15(2)26(14)16-5-6-20-21(9-16)30-13-29-20)19(27)11-31-22-24-23-12-25(22)10-17-4-3-7-28-17/h3-9,12H,10-11,13H2,1-2H3