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

Systemtic Name: 1-(3-bromanyl-4-methoxy-phenyl)-2-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]ethanone Openeye Name: 1-(3-bromo-4-methoxy-phenyl)-2-(1-phenyltetrazol-5-yl)sulfanyl-ethanone CAS Name: 1-(3-bromo-4-methoxyphenyl)-2-[(1-phenyl-5-tetrazolyl)thio]ethanone IUPAC Name: 1-(3-bromo-4-methoxyphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylethanone Traditional Name: 1-(3-bromo-4-methoxy-phenyl)-2-[(1-phenyltetrazol-5-yl)thio]ethanone Formula: C16H13BrN4O2S MolecularWeight: 405.26902

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)CSC2=NN=NN2C3=CC=CC=C3)Br

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)CSC2=NN=NN2C3=CC=CC=C3)Br

InChI

InChI=1S/C16H13BrN4O2S/c1-23-15-8-7-11(9-13(15)17)14(22)10-24-16-18-19-20-21(16)12-5-3-2-4-6-12/h2-9H,10H2,1H3