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

Systemtic Name: 2-bromanyl-3,5-bis(iodanyl)-N-[(1-propyl-1,2,3,4-tetrazol-5-yl)carbamothioyl]benzamide Openeye Name: 2-bromo-3,5-diiodo-N-[(1-propyltetrazol-5-yl)carbamothioyl]benzamide CAS Name: 2-bromo-3,5-diiodo-N-[[(1-propyl-5-tetrazolyl)amino]-sulfanylidenemethyl]benzamide IUPAC Name: 2-bromo-3,5-diiodo-N-[(1-propyltetrazol-5-yl)carbamothioyl]benzamide Traditional Name: 2-bromo-3,5-diiodo-N-[(1-propyltetrazol-5-yl)thiocarbamoyl]benzamide Formula: C12H11BrI2N6OS MolecularWeight: 621.03328

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NN=N1)NC(=S)NC(=O)C2=CC(=CC(=C2Br)I)I

Isomeric SMILES

CCCN1C(=NN=N1)NC(=S)NC(=O)C2=CC(=CC(=C2Br)I)I

InChI

InChI=1S/C12H11BrI2N6OS/c1-2-3-21-11(18-19-20-21)17-12(23)16-10(22)7-4-6(14)5-8(15)9(7)13/h4-5H,2-3H2,1H3,(H2,16,17,18,20,22,23)