3-[(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-4-cyclopropyl-5-(thiophen-2-ylmethyl)-1,2,4-triazole

Systemtic Name: 3-[(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-4-cyclopropyl-5-(thiophen-2-ylmethyl)-1,2,4-triazole Openeye Name: 3-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-4-cyclopropyl-5-(2-thienylmethyl)-1,2,4-triazole CAS Name: 3-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylthio]-4-cyclopropyl-5-(thiophen-2-ylmethyl)-1,2,4-triazole IUPAC Name: 3-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-4-cyclopropyl-5-(thiophen-2-ylmethyl)-1,2,4-triazole Traditional Name: 3-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylthio]-4-cyclopropyl-5-(2-thenyl)-1,2,4-triazole Formula: C19H18BrN3O2S2 MolecularWeight: 464.39912

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=NN=C2SCC3=CC4=C(C=C3Br)OCCO4)CC5=CC=CS5

Isomeric SMILES

C1CC1N2C(=NN=C2SCC3=CC4=C(C=C3Br)OCCO4)CC5=CC=CS5

InChI

InChI=1S/C19H18BrN3O2S2/c20-15-10-17-16(24-5-6-25-17)8-12(15)11-27-19-22-21-18(23(19)13-3-4-13)9-14-2-1-7-26-14/h1-2,7-8,10,13H,3-6,9,11H2