1-(3-bromanyl-4-methoxy-phenyl)-2-[(1-tert-butyl-1,2,3,4-tetrazol-5-yl)sulfanyl]ethanone

Systemtic Name: 1-(3-bromanyl-4-methoxy-phenyl)-2-[(1-tert-butyl-1,2,3,4-tetrazol-5-yl)sulfanyl]ethanone Openeye Name: 1-(3-bromo-4-methoxy-phenyl)-2-(1-tert-butyltetrazol-5-yl)sulfanyl-ethanone CAS Name: 1-(3-bromo-4-methoxyphenyl)-2-[(1-tert-butyl-5-tetrazolyl)thio]ethanone IUPAC Name: 1-(3-bromo-4-methoxyphenyl)-2-(1-tert-butyltetrazol-5-yl)sulfanylethanone Traditional Name: 1-(3-bromo-4-methoxy-phenyl)-2-[(1-tert-butyltetrazol-5-yl)thio]ethanone Formula: C14H17BrN4O2S MolecularWeight: 385.27938

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C(=NN=N1)SCC(=O)C2=CC(=C(C=C2)OC)Br

Isomeric SMILES

CC(C)(C)N1C(=NN=N1)SCC(=O)C2=CC(=C(C=C2)OC)Br

InChI

InChI=1S/C14H17BrN4O2S/c1-14(2,3)19-13(16-17-18-19)22-8-11(20)9-5-6-12(21-4)10(15)7-9/h5-7H,8H2,1-4H3