2,5-bis(iodanyl)-N-[(1-propyl-1,2,3,4-tetrazol-5-yl)carbamothioyl]benzamide

Systemtic Name: 2,5-bis(iodanyl)-N-[(1-propyl-1,2,3,4-tetrazol-5-yl)carbamothioyl]benzamide Openeye Name: 2,5-diiodo-N-[(1-propyltetrazol-5-yl)carbamothioyl]benzamide CAS Name: 2,5-diiodo-N-[[(1-propyl-5-tetrazolyl)amino]-sulfanylidenemethyl]benzamide IUPAC Name: 2,5-diiodo-N-[(1-propyltetrazol-5-yl)carbamothioyl]benzamide Traditional Name: 2,5-diiodo-N-[(1-propyltetrazol-5-yl)thiocarbamoyl]benzamide Formula: C12H12I2N6OS MolecularWeight: 542.13722

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NN=N1)NC(=S)NC(=O)C2=C(C=CC(=C2)I)I

Isomeric SMILES

CCCN1C(=NN=N1)NC(=S)NC(=O)C2=C(C=CC(=C2)I)I

InChI

InChI=1S/C12H12I2N6OS/c1-2-5-20-11(17-18-19-20)16-12(22)15-10(21)8-6-7(13)3-4-9(8)14/h3-4,6H,2,5H2,1H3,(H2,15,16,17,19,21,22)