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

Systemtic Name: 4-chloranyl-3-nitro-N-[(1-propyl-1,2,3,4-tetrazol-5-yl)carbamothioyl]benzamide Openeye Name: 4-chloro-3-nitro-N-[(1-propyltetrazol-5-yl)carbamothioyl]benzamide CAS Name: 4-chloro-3-nitro-N-[[(1-propyl-5-tetrazolyl)amino]-sulfanylidenemethyl]benzamide IUPAC Name: 4-chloro-3-nitro-N-[(1-propyltetrazol-5-yl)carbamothioyl]benzamide Traditional Name: 4-chloro-3-nitro-N-[(1-propyltetrazol-5-yl)thiocarbamoyl]benzamide Formula: C12H12ClN7O3S MolecularWeight: 369.78678

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NN=N1)NC(=S)NC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

CCCN1C(=NN=N1)NC(=S)NC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C12H12ClN7O3S/c1-2-5-19-11(16-17-18-19)15-12(24)14-10(21)7-3-4-8(13)9(6-7)20(22)23/h3-4,6H,2,5H2,1H3,(H2,14,15,16,18,21,24)