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

Systemtic Name: 4-methyl-N-[[2-(2-methylpropyl)-1,2,3,4-tetrazol-5-yl]carbamothioyl]-3-nitro-benzamide Openeye Name: N-[(2-isobutyltetrazol-5-yl)carbamothioyl]-4-methyl-3-nitro-benzamide CAS Name: 4-methyl-N-[[[2-(2-methylpropyl)-5-tetrazolyl]amino]-sulfanylidenemethyl]-3-nitrobenzamide IUPAC Name: 4-methyl-N-[[2-(2-methylpropyl)tetrazol-5-yl]carbamothioyl]-3-nitrobenzamide Traditional Name: N-[(2-isobutyltetrazol-5-yl)thiocarbamoyl]-4-methyl-3-nitro-benzamide Formula: C14H17N7O3S MolecularWeight: 363.39488

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC(=S)NC2=NN(N=N2)CC(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC(=S)NC2=NN(N=N2)CC(C)C)[N+](=O)[O-]

InChI

InChI=1S/C14H17N7O3S/c1-8(2)7-20-18-13(17-19-20)16-14(25)15-12(22)10-5-4-9(3)11(6-10)21(23)24/h4-6,8H,7H2,1-3H3,(H2,15,16,18,22,25)