3-[(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-4-(2-methoxyphenyl)-1,2,4-triazole

Systemtic Name: 3-[(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-4-(2-methoxyphenyl)-1,2,4-triazole Openeye Name: 3-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-4-(2-methoxyphenyl)-1,2,4-triazole CAS Name: 3-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylthio]-4-(2-methoxyphenyl)-1,2,4-triazole IUPAC Name: 3-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-4-(2-methoxyphenyl)-1,2,4-triazole Traditional Name: 3-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylthio]-4-(2-methoxyphenyl)-1,2,4-triazole Formula: C18H16BrN3O3S MolecularWeight: 434.30694

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2C=NN=C2SCC3=CC4=C(C=C3Br)OCCO4

Isomeric SMILES

COC1=CC=CC=C1N2C=NN=C2SCC3=CC4=C(C=C3Br)OCCO4

InChI

InChI=1S/C18H16BrN3O3S/c1-23-15-5-3-2-4-14(15)22-11-20-21-18(22)26-10-12-8-16-17(9-13(12)19)25-7-6-24-16/h2-5,8-9,11H,6-7,10H2,1H3