3-[(6-bromanyl-1,3-benzodioxol-5-yl)methylsulfanyl]-4-ethyl-5-(2-methylfuran-3-yl)-1,2,4-triazole

Systemtic Name: 3-[(6-bromanyl-1,3-benzodioxol-5-yl)methylsulfanyl]-4-ethyl-5-(2-methylfuran-3-yl)-1,2,4-triazole Openeye Name: 3-[(6-bromo-1,3-benzodioxol-5-yl)methylsulfanyl]-4-ethyl-5-(2-methyl-3-furyl)-1,2,4-triazole CAS Name: 3-[(6-bromo-1,3-benzodioxol-5-yl)methylthio]-4-ethyl-5-(2-methyl-3-furanyl)-1,2,4-triazole IUPAC Name: 3-[(6-bromo-1,3-benzodioxol-5-yl)methylsulfanyl]-4-ethyl-5-(2-methylfuran-3-yl)-1,2,4-triazole Traditional Name: 3-[(6-bromo-1,3-benzodioxol-5-yl)methylthio]-4-ethyl-5-(2-methyl-3-furyl)-1,2,4-triazole Formula: C17H16BrN3O3S MolecularWeight: 422.29624

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=CC3=C(C=C2Br)OCO3)C4=C(OC=C4)C

Isomeric SMILES

CCN1C(=NN=C1SCC2=CC3=C(C=C2Br)OCO3)C4=C(OC=C4)C

InChI

InChI=1S/C17H16BrN3O3S/c1-3-21-16(12-4-5-22-10(12)2)19-20-17(21)25-8-11-6-14-15(7-13(11)18)24-9-23-14/h4-7H,3,8-9H2,1-2H3