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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N2C=NN=C2SCC3=CC4=C(C=C3Br)OCCO4

Isomeric SMILES

COC1=CC=CC(=C1)N2C=NN=C2SCC3=CC4=C(C=C3Br)OCCO4

InChI

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