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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15N7O4S/c1-3-6-19-12(16-17-18-19)15-13(25)14-11(21)8-4-5-10(24-2)9(7-8)20(22)23/h4-5,7H,3,6H2,1-2H3,(H2,14,15,16,18,21,25)