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

Systemtic Name: 3-nitro-N-[(2-propyl-1,2,3,4-tetrazol-5-yl)carbamothioyl]benzamide Openeye Name: 3-nitro-N-[(2-propyltetrazol-5-yl)carbamothioyl]benzamide CAS Name: 3-nitro-N-[[(2-propyl-5-tetrazolyl)amino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-nitro-N-[(2-propyltetrazol-5-yl)carbamothioyl]benzamide Traditional Name: 3-nitro-N-[(2-propyltetrazol-5-yl)thiocarbamoyl]benzamide Formula: C12H13N7O3S MolecularWeight: 335.34172

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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-]

Isomeric SMILES

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

InChI

InChI=1S/C12H13N7O3S/c1-2-6-18-16-11(15-17-18)14-12(23)13-10(20)8-4-3-5-9(7-8)19(21)22/h3-5,7H,2,6H2,1H3,(H2,13,14,16,20,23)