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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1N=C(N=N1)NC(=S)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)CN1N=C(N=N1)NC(=S)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C13H15N7O3S/c1-8(2)7-19-17-12(16-18-19)15-13(24)14-11(21)9-4-3-5-10(6-9)20(22)23/h3-6,8H,7H2,1-2H3,(H2,14,15,17,21,24)