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

Systemtic Name: 2-(4-nitrophenoxy)-N-[(2-propyl-1,2,3,4-tetrazol-5-yl)carbamothioyl]ethanamide Openeye Name: 2-(4-nitrophenoxy)-N-[(2-propyltetrazol-5-yl)carbamothioyl]acetamide CAS Name: 2-(4-nitrophenoxy)-N-[[(2-propyl-5-tetrazolyl)amino]-sulfanylidenemethyl]acetamide IUPAC Name: 2-(4-nitrophenoxy)-N-[(2-propyltetrazol-5-yl)carbamothioyl]acetamide Traditional Name: 2-(4-nitrophenoxy)-N-[(2-propyltetrazol-5-yl)thiocarbamoyl]acetamide Formula: C13H15N7O4S MolecularWeight: 365.3677

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1N=C(N=N1)NC(=S)NC(=O)COC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCCN1N=C(N=N1)NC(=S)NC(=O)COC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C13H15N7O4S/c1-2-7-19-17-12(16-18-19)15-13(25)14-11(21)8-24-10-5-3-9(4-6-10)20(22)23/h3-6H,2,7-8H2,1H3,(H2,14,15,17,21,25)