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

Systemtic Name: 3-[(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-5-cyclopropyl-4-(furan-2-ylmethyl)-1,2,4-triazole Openeye Name: 3-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-5-cyclopropyl-4-(2-furylmethyl)-1,2,4-triazole CAS Name: 3-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylthio]-5-cyclopropyl-4-(2-furanylmethyl)-1,2,4-triazole IUPAC Name: 3-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-5-cyclopropyl-4-(furan-2-ylmethyl)-1,2,4-triazole Traditional Name: 3-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylthio]-5-cyclopropyl-4-(2-furfuryl)-1,2,4-triazole Formula: C19H18BrN3O3S MolecularWeight: 448.33352

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NN=C(N2CC3=CC=CO3)SCC4=CC5=C(C=C4Br)OCCO5

Isomeric SMILES

C1CC1C2=NN=C(N2CC3=CC=CO3)SCC4=CC5=C(C=C4Br)OCCO5

InChI

InChI=1S/C19H18BrN3O3S/c20-15-9-17-16(25-6-7-26-17)8-13(15)11-27-19-22-21-18(12-3-4-12)23(19)10-14-2-1-5-24-14/h1-2,5,8-9,12H,3-4,6-7,10-11H2