5-[(2-bromanyl-4,5-dimethoxy-phenyl)methylsulfanyl]-1-cyclopropyl-1,2,3,4-tetrazole

Systemtic Name: 5-[(2-bromanyl-4,5-dimethoxy-phenyl)methylsulfanyl]-1-cyclopropyl-1,2,3,4-tetrazole Openeye Name: 5-[(2-bromo-4,5-dimethoxy-phenyl)methylsulfanyl]-1-cyclopropyl-tetrazole CAS Name: 5-[(2-bromo-4,5-dimethoxyphenyl)methylthio]-1-cyclopropyltetrazole IUPAC Name: 5-[(2-bromo-4,5-dimethoxyphenyl)methylsulfanyl]-1-cyclopropyltetrazole Traditional Name: 5-[(2-bromo-4,5-dimethoxy-benzyl)thio]-1-cyclopropyl-tetrazole Formula: C13H15BrN4O2S MolecularWeight: 371.2528

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)CSC2=NN=NN2C3CC3)Br)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)CSC2=NN=NN2C3CC3)Br)OC

InChI

InChI=1S/C13H15BrN4O2S/c1-19-11-5-8(10(14)6-12(11)20-2)7-21-13-15-16-17-18(13)9-3-4-9/h5-6,9H,3-4,7H2,1-2H3