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

Systemtic Name: 3-methyl-4-nitro-N-[(2-propyl-1,2,3,4-tetrazol-5-yl)carbamothioyl]benzamide Openeye Name: 3-methyl-4-nitro-N-[(2-propyltetrazol-5-yl)carbamothioyl]benzamide CAS Name: 3-methyl-4-nitro-N-[[(2-propyl-5-tetrazolyl)amino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-methyl-4-nitro-N-[(2-propyltetrazol-5-yl)carbamothioyl]benzamide Traditional Name: 3-methyl-4-nitro-N-[(2-propyltetrazol-5-yl)thiocarbamoyl]benzamide Formula: C13H15N7O3S MolecularWeight: 349.3683

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15N7O3S/c1-3-6-19-17-12(16-18-19)15-13(24)14-11(21)9-4-5-10(20(22)23)8(2)7-9/h4-5,7H,3,6H2,1-2H3,(H2,14,15,17,21,24)