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

Systemtic Name: N-(3-bromanyl-4-methoxy-phenyl)-2-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]ethanamide Openeye Name: N-(3-bromo-4-methoxy-phenyl)-2-(1-phenyltetrazol-5-yl)sulfanyl-acetamide CAS Name: N-(3-bromo-4-methoxyphenyl)-2-[(1-phenyl-5-tetrazolyl)thio]acetamide IUPAC Name: N-(3-bromo-4-methoxyphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide Traditional Name: N-(3-bromo-4-methoxy-phenyl)-2-[(1-phenyltetrazol-5-yl)thio]acetamide Formula: C16H14BrN5O2S MolecularWeight: 420.28366

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14BrN5O2S/c1-24-14-8-7-11(9-13(14)17)18-15(23)10-25-16-19-20-21-22(16)12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H,18,23)