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

Systemtic Name: 4-ethoxy-N-[(2-ethyl-1,2,3,4-tetrazol-5-yl)carbamothioyl]-3-nitro-benzamide Openeye Name: 4-ethoxy-N-[(2-ethyltetrazol-5-yl)carbamothioyl]-3-nitro-benzamide CAS Name: 4-ethoxy-N-[[(2-ethyl-5-tetrazolyl)amino]-sulfanylidenemethyl]-3-nitrobenzamide IUPAC Name: 4-ethoxy-N-[(2-ethyltetrazol-5-yl)carbamothioyl]-3-nitrobenzamide Traditional Name: 4-ethoxy-N-[(2-ethyltetrazol-5-yl)thiocarbamoyl]-3-nitro-benzamide Formula: C13H15N7O4S MolecularWeight: 365.3677

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Descriptors Computed from Structure

Canonical SMILES:

CCN1N=C(N=N1)NC(=S)NC(=O)C2=CC(=C(C=C2)OCC)[N+](=O)[O-]

Isomeric SMILES

CCN1N=C(N=N1)NC(=S)NC(=O)C2=CC(=C(C=C2)OCC)[N+](=O)[O-]

InChI

InChI=1S/C13H15N7O4S/c1-3-19-17-12(16-18-19)15-13(25)14-11(21)8-5-6-10(24-4-2)9(7-8)20(22)23/h5-7H,3-4H2,1-2H3,(H2,14,15,17,21,25)