3,5-bis(bromanyl)-2-methoxy-N-[(2-propyl-1,2,3,4-tetrazol-5-yl)carbamothioyl]benzamide

Systemtic Name: 3,5-bis(bromanyl)-2-methoxy-N-[(2-propyl-1,2,3,4-tetrazol-5-yl)carbamothioyl]benzamide Openeye Name: 3,5-dibromo-2-methoxy-N-[(2-propyltetrazol-5-yl)carbamothioyl]benzamide CAS Name: 3,5-dibromo-2-methoxy-N-[[(2-propyl-5-tetrazolyl)amino]-sulfanylidenemethyl]benzamide IUPAC Name: 3,5-dibromo-2-methoxy-N-[(2-propyltetrazol-5-yl)carbamothioyl]benzamide Traditional Name: 3,5-dibromo-2-methoxy-N-[(2-propyltetrazol-5-yl)thiocarbamoyl]benzamide Formula: C13H14Br2N6O2S MolecularWeight: 478.16226

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1N=C(N=N1)NC(=S)NC(=O)C2=CC(=CC(=C2OC)Br)Br

Isomeric SMILES

CCCN1N=C(N=N1)NC(=S)NC(=O)C2=CC(=CC(=C2OC)Br)Br

InChI

InChI=1S/C13H14Br2N6O2S/c1-3-4-21-19-12(18-20-21)17-13(24)16-11(22)8-5-7(14)6-9(15)10(8)23-2/h5-6H,3-4H2,1-2H3,(H2,16,17,19,22,24)