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

Systemtic Name: 5-[(6-bromanyl-1,3-benzodioxol-5-yl)methylsulfanyl]-1-(4-methoxyphenyl)-1,2,3,4-tetrazole Openeye Name: 5-[(6-bromo-1,3-benzodioxol-5-yl)methylsulfanyl]-1-(4-methoxyphenyl)tetrazole CAS Name: 5-[(6-bromo-1,3-benzodioxol-5-yl)methylthio]-1-(4-methoxyphenyl)tetrazole IUPAC Name: 5-[(6-bromo-1,3-benzodioxol-5-yl)methylsulfanyl]-1-(4-methoxyphenyl)tetrazole Traditional Name: 5-[(6-bromo-1,3-benzodioxol-5-yl)methylthio]-1-(4-methoxyphenyl)tetrazole Formula: C16H13BrN4O3S MolecularWeight: 421.26842

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(=NN=N2)SCC3=CC4=C(C=C3Br)OCO4

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=NN=N2)SCC3=CC4=C(C=C3Br)OCO4

InChI

InChI=1S/C16H13BrN4O3S/c1-22-12-4-2-11(3-5-12)21-16(18-19-20-21)25-8-10-6-14-15(7-13(10)17)24-9-23-14/h2-7H,8-9H2,1H3