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

Systemtic Name: 3-fluoranyl-N-[[2-(5-phenyl-1,2,3,4-tetrazol-2-yl)ethanoylamino]carbamothioyl]benzamide Openeye Name: 3-fluoro-N-[[[2-(5-phenyltetrazol-2-yl)acetyl]amino]carbamothioyl]benzamide CAS Name: 3-fluoro-N-[[[1-oxo-2-(5-phenyl-2-tetrazolyl)ethyl]hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: 3-fluoro-N-[[[2-(5-phenyltetrazol-2-yl)acetyl]amino]carbamothioyl]benzamide Traditional Name: 3-fluoro-N-[[[2-(5-phenyltetrazol-2-yl)acetyl]amino]thiocarbamoyl]benzamide Formula: C17H14FN7O2S MolecularWeight: 399.402163

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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=C3)F

Isomeric SMILES

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

InChI

InChI=1S/C17H14FN7O2S/c18-13-8-4-7-12(9-13)16(27)19-17(28)22-20-14(26)10-25-23-15(21-24-25)11-5-2-1-3-6-11/h1-9H,10H2,(H,20,26)(H2,19,22,27,28)