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

Systemtic Name: 3-bromanyl-4-ethoxy-N-[(2-ethyl-1,2,3,4-tetrazol-5-yl)carbamothioyl]benzamide Openeye Name: 3-bromo-4-ethoxy-N-[(2-ethyltetrazol-5-yl)carbamothioyl]benzamide CAS Name: 3-bromo-4-ethoxy-N-[[(2-ethyl-5-tetrazolyl)amino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-ethoxy-N-[(2-ethyltetrazol-5-yl)carbamothioyl]benzamide Traditional Name: 3-bromo-4-ethoxy-N-[(2-ethyltetrazol-5-yl)thiocarbamoyl]benzamide Formula: C13H15BrN6O2S MolecularWeight: 399.2662

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Descriptors Computed from Structure

Canonical SMILES:

CCN1N=C(N=N1)NC(=S)NC(=O)C2=CC(=C(C=C2)OCC)Br

Isomeric SMILES

CCN1N=C(N=N1)NC(=S)NC(=O)C2=CC(=C(C=C2)OCC)Br

InChI

InChI=1S/C13H15BrN6O2S/c1-3-20-18-12(17-19-20)16-13(23)15-11(21)8-5-6-10(22-4-2)9(14)7-8/h5-7H,3-4H2,1-2H3,(H2,15,16,18,21,23)