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

Systemtic Name: 5-[(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-1-phenyl-1,2,3,4-tetrazole Openeye Name: 5-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-1-phenyl-tetrazole CAS Name: 5-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylthio]-1-phenyltetrazole IUPAC Name: 5-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-1-phenyltetrazole Traditional Name: 5-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylthio]-1-phenyl-tetrazole Formula: C16H13BrN4O2S MolecularWeight: 405.26902

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=C(C(=C2)Br)CSC3=NN=NN3C4=CC=CC=C4

Isomeric SMILES

C1COC2=C(O1)C=C(C(=C2)Br)CSC3=NN=NN3C4=CC=CC=C4

InChI

InChI=1S/C16H13BrN4O2S/c17-13-9-15-14(22-6-7-23-15)8-11(13)10-24-16-18-19-20-21(16)12-4-2-1-3-5-12/h1-5,8-9H,6-7,10H2