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

Systemtic Name: 2-bromanyl-5-nitro-N-[(2-propyl-1,2,3,4-tetrazol-5-yl)carbamothioyl]benzamide Openeye Name: 2-bromo-5-nitro-N-[(2-propyltetrazol-5-yl)carbamothioyl]benzamide CAS Name: 2-bromo-5-nitro-N-[[(2-propyl-5-tetrazolyl)amino]-sulfanylidenemethyl]benzamide IUPAC Name: 2-bromo-5-nitro-N-[(2-propyltetrazol-5-yl)carbamothioyl]benzamide Traditional Name: 2-bromo-5-nitro-N-[(2-propyltetrazol-5-yl)thiocarbamoyl]benzamide Formula: C12H12BrN7O3S MolecularWeight: 414.23778

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1N=C(N=N1)NC(=S)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])Br

Isomeric SMILES

CCCN1N=C(N=N1)NC(=S)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])Br

InChI

InChI=1S/C12H12BrN7O3S/c1-2-5-19-17-11(16-18-19)15-12(24)14-10(21)8-6-7(20(22)23)3-4-9(8)13/h3-4,6H,2,5H2,1H3,(H2,14,15,17,21,24)