3-[(6-bromanyl-1,3-benzodioxol-5-yl)methylsulfanyl]-4-phenyl-1,2,4-triazole

Systemtic Name: 3-[(6-bromanyl-1,3-benzodioxol-5-yl)methylsulfanyl]-4-phenyl-1,2,4-triazole Openeye Name: 3-[(6-bromo-1,3-benzodioxol-5-yl)methylsulfanyl]-4-phenyl-1,2,4-triazole CAS Name: 3-[(6-bromo-1,3-benzodioxol-5-yl)methylthio]-4-phenyl-1,2,4-triazole IUPAC Name: 3-[(6-bromo-1,3-benzodioxol-5-yl)methylsulfanyl]-4-phenyl-1,2,4-triazole Traditional Name: 3-[(6-bromo-1,3-benzodioxol-5-yl)methylthio]-4-phenyl-1,2,4-triazole Formula: C16H12BrN3O2S MolecularWeight: 390.25438

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C(=C2)CSC3=NN=CN3C4=CC=CC=C4)Br

Isomeric SMILES

C1OC2=C(O1)C=C(C(=C2)CSC3=NN=CN3C4=CC=CC=C4)Br

InChI

InChI=1S/C16H12BrN3O2S/c17-13-7-15-14(21-10-22-15)6-11(13)8-23-16-19-18-9-20(16)12-4-2-1-3-5-12/h1-7,9H,8,10H2