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

Systemtic Name: 3-[(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-5-phenyl-1H-1,2,4-triazole Openeye Name: 3-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-5-phenyl-1H-1,2,4-triazole CAS Name: 3-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylthio]-5-phenyl-1H-1,2,4-triazole IUPAC Name: 3-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-5-phenyl-1H-1,2,4-triazole Traditional Name: 3-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylthio]-5-phenyl-1H-1,2,4-triazole Formula: C17H14BrN3O2S MolecularWeight: 404.28096

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H14BrN3O2S/c18-13-9-15-14(22-6-7-23-15)8-12(13)10-24-17-19-16(20-21-17)11-4-2-1-3-5-11/h1-5,8-9H,6-7,10H2,(H,19,20,21)