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

Systemtic Name: 3,5-dinitro-N-[(2-propyl-1,2,3,4-tetrazol-5-yl)carbamothioyl]benzamide Openeye Name: 3,5-dinitro-N-[(2-propyltetrazol-5-yl)carbamothioyl]benzamide CAS Name: 3,5-dinitro-N-[[(2-propyl-5-tetrazolyl)amino]-sulfanylidenemethyl]benzamide IUPAC Name: 3,5-dinitro-N-[(2-propyltetrazol-5-yl)carbamothioyl]benzamide Traditional Name: 3,5-dinitro-N-[(2-propyltetrazol-5-yl)thiocarbamoyl]benzamide Formula: C12H12N8O5S MolecularWeight: 380.33928

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12N8O5S/c1-2-3-18-16-11(15-17-18)14-12(26)13-10(21)7-4-8(19(22)23)6-9(5-7)20(24)25/h4-6H,2-3H2,1H3,(H2,13,14,16,21,26)