2-bromanyl-N-[[2-(5-phenyl-1,2,3,4-tetrazol-2-yl)ethanoylamino]carbamothioyl]benzamide

Systemtic Name: 2-bromanyl-N-[[2-(5-phenyl-1,2,3,4-tetrazol-2-yl)ethanoylamino]carbamothioyl]benzamide Openeye Name: 2-bromo-N-[[[2-(5-phenyltetrazol-2-yl)acetyl]amino]carbamothioyl]benzamide CAS Name: 2-bromo-N-[[[1-oxo-2-(5-phenyl-2-tetrazolyl)ethyl]hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: 2-bromo-N-[[[2-(5-phenyltetrazol-2-yl)acetyl]amino]carbamothioyl]benzamide Traditional Name: 2-bromo-N-[[[2-(5-phenyltetrazol-2-yl)acetyl]amino]thiocarbamoyl]benzamide Formula: C17H14BrN7O2S MolecularWeight: 460.30776

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN(N=N2)CC(=O)NNC(=S)NC(=O)C3=CC=CC=C3Br

Isomeric SMILES

C1=CC=C(C=C1)C2=NN(N=N2)CC(=O)NNC(=S)NC(=O)C3=CC=CC=C3Br

InChI

InChI=1S/C17H14BrN7O2S/c18-13-9-5-4-8-12(13)16(27)19-17(28)22-20-14(26)10-25-23-15(21-24-25)11-6-2-1-3-7-11/h1-9H,10H2,(H,20,26)(H2,19,22,27,28)