3-[(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-4-(2-methoxyethyl)-5-phenyl-1,2,4-triazole

Systemtic Name: 3-[(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-4-(2-methoxyethyl)-5-phenyl-1,2,4-triazole Openeye Name: 3-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-4-(2-methoxyethyl)-5-phenyl-1,2,4-triazole CAS Name: 3-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylthio]-4-(2-methoxyethyl)-5-phenyl-1,2,4-triazole IUPAC Name: 3-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-4-(2-methoxyethyl)-5-phenyl-1,2,4-triazole Traditional Name: 3-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylthio]-4-(2-methoxyethyl)-5-phenyl-1,2,4-triazole Formula: C20H20BrN3O3S MolecularWeight: 462.3601

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Descriptors Computed from Structure

Canonical SMILES:

COCCN1C(=NN=C1SCC2=CC3=C(C=C2Br)OCCO3)C4=CC=CC=C4

Isomeric SMILES

COCCN1C(=NN=C1SCC2=CC3=C(C=C2Br)OCCO3)C4=CC=CC=C4

InChI

InChI=1S/C20H20BrN3O3S/c1-25-8-7-24-19(14-5-3-2-4-6-14)22-23-20(24)28-13-15-11-17-18(12-16(15)21)27-10-9-26-17/h2-6,11-12H,7-10,13H2,1H3