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

Systemtic Name: 4-ethoxy-3-nitro-N-[(2-propyl-1,2,3,4-tetrazol-5-yl)carbamothioyl]benzamide Openeye Name: 4-ethoxy-3-nitro-N-[(2-propyltetrazol-5-yl)carbamothioyl]benzamide CAS Name: 4-ethoxy-3-nitro-N-[[(2-propyl-5-tetrazolyl)amino]-sulfanylidenemethyl]benzamide IUPAC Name: 4-ethoxy-3-nitro-N-[(2-propyltetrazol-5-yl)carbamothioyl]benzamide Traditional Name: 4-ethoxy-3-nitro-N-[(2-propyltetrazol-5-yl)thiocarbamoyl]benzamide Formula: C14H17N7O4S MolecularWeight: 379.39428

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17N7O4S/c1-3-7-20-18-13(17-19-20)16-14(26)15-12(22)9-5-6-11(25-4-2)10(8-9)21(23)24/h5-6,8H,3-4,7H2,1-2H3,(H2,15,16,18,22,26)