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

Systemtic Name: 4-nitro-N-[[2-(5-phenyl-1,2,3,4-tetrazol-2-yl)ethanoylamino]carbamothioyl]benzamide Openeye Name: 4-nitro-N-[[[2-(5-phenyltetrazol-2-yl)acetyl]amino]carbamothioyl]benzamide CAS Name: 4-nitro-N-[[[1-oxo-2-(5-phenyl-2-tetrazolyl)ethyl]hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: 4-nitro-N-[[[2-(5-phenyltetrazol-2-yl)acetyl]amino]carbamothioyl]benzamide Traditional Name: 4-nitro-N-[[[2-(5-phenyltetrazol-2-yl)acetyl]amino]thiocarbamoyl]benzamide Formula: C17H14N8O4S MolecularWeight: 426.40926

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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=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=NN(N=N2)CC(=O)NNC(=S)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H14N8O4S/c26-14(10-24-22-15(20-23-24)11-4-2-1-3-5-11)19-21-17(30)18-16(27)12-6-8-13(9-7-12)25(28)29/h1-9H,10H2,(H,19,26)(H2,18,21,27,30)