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

Systemtic Name: 4-ethoxy-N-[(2-methyl-1,2,3,4-tetrazol-5-yl)carbamothioyl]-3-nitro-benzamide Openeye Name: 4-ethoxy-N-[(2-methyltetrazol-5-yl)carbamothioyl]-3-nitro-benzamide CAS Name: 4-ethoxy-N-[[(2-methyl-5-tetrazolyl)amino]-sulfanylidenemethyl]-3-nitrobenzamide IUPAC Name: 4-ethoxy-N-[(2-methyltetrazol-5-yl)carbamothioyl]-3-nitrobenzamide Traditional Name: 4-ethoxy-N-[(2-methyltetrazol-5-yl)thiocarbamoyl]-3-nitro-benzamide Formula: C12H13N7O4S MolecularWeight: 351.34112

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=NN(N=N2)C)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=NN(N=N2)C)[N+](=O)[O-]

InChI

InChI=1S/C12H13N7O4S/c1-3-23-9-5-4-7(6-8(9)19(21)22)10(20)13-12(24)14-11-15-17-18(2)16-11/h4-6H,3H2,1-2H3,(H2,13,14,16,20,24)