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

Systemtic Name: 5-[(6-bromanyl-1,3-benzodioxol-5-yl)methylsulfanyl]-1-(3,4-dimethylphenyl)-1,2,3,4-tetrazole Openeye Name: 5-[(6-bromo-1,3-benzodioxol-5-yl)methylsulfanyl]-1-(3,4-dimethylphenyl)tetrazole CAS Name: 5-[(6-bromo-1,3-benzodioxol-5-yl)methylthio]-1-(3,4-dimethylphenyl)tetrazole IUPAC Name: 5-[(6-bromo-1,3-benzodioxol-5-yl)methylsulfanyl]-1-(3,4-dimethylphenyl)tetrazole Traditional Name: 5-[(6-bromo-1,3-benzodioxol-5-yl)methylthio]-1-(3,4-dimethylphenyl)tetrazole Formula: C17H15BrN4O2S MolecularWeight: 419.2956

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=NN=N2)SCC3=CC4=C(C=C3Br)OCO4)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=NN=N2)SCC3=CC4=C(C=C3Br)OCO4)C

InChI

InChI=1S/C17H15BrN4O2S/c1-10-3-4-13(5-11(10)2)22-17(19-20-21-22)25-8-12-6-15-16(7-14(12)18)24-9-23-15/h3-7H,8-9H2,1-2H3