2-bromanyl-N'-[4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)phenyl]carbonyl-benzohydrazide

Systemtic Name: 2-bromanyl-N'-[4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)phenyl]carbonyl-benzohydrazide Openeye Name: 2-bromo-N'-[4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzoyl]benzohydrazide CAS Name: 2-bromo-N'-[oxo-[4-[(1H-1,2,4-triazol-5-ylthio)methyl]phenyl]methyl]benzohydrazide IUPAC Name: 2-bromo-N'-[4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzoyl]benzohydrazide Traditional Name: 2-bromo-N'-[4-[(1H-1,2,4-triazol-5-ylthio)methyl]benzoyl]benzohydrazide Formula: C17H14BrN5O2S MolecularWeight: 432.29436

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)NNC(=O)C2=CC=C(C=C2)CSC3=NC=NN3)Br

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)NNC(=O)C2=CC=C(C=C2)CSC3=NC=NN3)Br

InChI

InChI=1S/C17H14BrN5O2S/c18-14-4-2-1-3-13(14)16(25)22-21-15(24)12-7-5-11(6-8-12)9-26-17-19-10-20-23-17/h1-8,10H,9H2,(H,21,24)(H,22,25)(H,19,20,23)