4-bromanyl-N'-[2-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]butanoyl]benzohydrazide

Systemtic Name: 4-bromanyl-N'-[2-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]butanoyl]benzohydrazide Openeye Name: 4-bromo-N'-[2-(1-phenyltetrazol-5-yl)sulfanylbutanoyl]benzohydrazide CAS Name: 4-bromo-N'-[1-oxo-2-[(1-phenyl-5-tetrazolyl)thio]butyl]benzohydrazide IUPAC Name: 4-bromo-N'-[2-(1-phenyltetrazol-5-yl)sulfanylbutanoyl]benzohydrazide Traditional Name: 4-bromo-N'-[2-[(1-phenyltetrazol-5-yl)thio]butanoyl]benzohydrazide Formula: C18H17BrN6O2S MolecularWeight: 461.33558

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NNC(=O)C1=CC=C(C=C1)Br)SC2=NN=NN2C3=CC=CC=C3

Isomeric SMILES

CCC(C(=O)NNC(=O)C1=CC=C(C=C1)Br)SC2=NN=NN2C3=CC=CC=C3

InChI

InChI=1S/C18H17BrN6O2S/c1-2-15(17(27)21-20-16(26)12-8-10-13(19)11-9-12)28-18-22-23-24-25(18)14-6-4-3-5-7-14/h3-11,15H,2H2,1H3,(H,20,26)(H,21,27)