1-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,5-dimethyl-pyrrol-3-yl]-2-[[4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone

Systemtic Name: 1-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,5-dimethyl-pyrrol-3-yl]-2-[[4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone Openeye Name: 1-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,5-dimethyl-pyrrol-3-yl]-2-[[4-(2-furylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 1-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,5-dimethyl-3-pyrrolyl]-2-[[4-(2-furanylmethyl)-1,2,4-triazol-3-yl]thio]ethanone IUPAC Name: 1-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,5-dimethylpyrrol-3-yl]-2-[[4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone Traditional Name: 1-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,5-dimethyl-pyrrol-3-yl]-2-[[4-(2-furfuryl)-1,2,4-triazol-3-yl]thio]ethanone Formula: C23H22N4O4S MolecularWeight: 450.51018

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC3=C(C=C2)OCCO3)C)C(=O)CSC4=NN=CN4CC5=CC=CO5

Isomeric SMILES

CC1=CC(=C(N1C2=CC3=C(C=C2)OCCO3)C)C(=O)CSC4=NN=CN4CC5=CC=CO5

InChI

InChI=1S/C23H22N4O4S/c1-15-10-19(16(2)27(15)17-5-6-21-22(11-17)31-9-8-30-21)20(28)13-32-23-25-24-14-26(23)12-18-4-3-7-29-18/h3-7,10-11,14H,8-9,12-13H2,1-2H3