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

Systemtic Name: 3-[(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-5-thiophen-2-yl-1H-1,2,4-triazole Openeye Name: 3-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-5-(2-thienyl)-1H-1,2,4-triazole CAS Name: 3-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylthio]-5-thiophen-2-yl-1H-1,2,4-triazole IUPAC Name: 3-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-5-thiophen-2-yl-1H-1,2,4-triazole Traditional Name: 3-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylthio]-5-(2-thienyl)-1H-1,2,4-triazole Formula: C15H12BrN3O2S2 MolecularWeight: 410.30868

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=C(C(=C2)Br)CSC3=NNC(=N3)C4=CC=CS4

Isomeric SMILES

C1COC2=C(O1)C=C(C(=C2)Br)CSC3=NNC(=N3)C4=CC=CS4

InChI

InChI=1S/C15H12BrN3O2S2/c16-10-7-12-11(20-3-4-21-12)6-9(10)8-23-15-17-14(18-19-15)13-2-1-5-22-13/h1-2,5-7H,3-4,8H2,(H,17,18,19)