3-[(6-fluoranyl-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-4-(4-methylphenyl)-5-pyrrolidin-1-yl-1,2,4-triazole

Systemtic Name: 3-[(6-fluoranyl-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-4-(4-methylphenyl)-5-pyrrolidin-1-yl-1,2,4-triazole Openeye Name: 3-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-4-(p-tolyl)-5-pyrrolidin-1-yl-1,2,4-triazole CAS Name: 3-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methylthio]-4-(4-methylphenyl)-5-(1-pyrrolidinyl)-1,2,4-triazole IUPAC Name: 3-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-4-(4-methylphenyl)-5-pyrrolidin-1-yl-1,2,4-triazole Traditional Name: 3-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methylthio]-4-(p-tolyl)-5-pyrrolidino-1,2,4-triazole Formula: C22H23FN4O2S MolecularWeight: 426.507023

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NN=C2SCC3=C4C(=CC(=C3)F)COCO4)N5CCCC5

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NN=C2SCC3=C4C(=CC(=C3)F)COCO4)N5CCCC5

InChI

InChI=1S/C22H23FN4O2S/c1-15-4-6-19(7-5-15)27-21(26-8-2-3-9-26)24-25-22(27)30-13-17-11-18(23)10-16-12-28-14-29-20(16)17/h4-7,10-11H,2-3,8-9,12-14H2,1H3