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

Systemtic Name: 5-bromanyl-N-[(2-butyl-1,2,3,4-tetrazol-5-yl)carbamothioyl]-2-chloranyl-benzamide Openeye Name: 5-bromo-N-[(2-butyltetrazol-5-yl)carbamothioyl]-2-chloro-benzamide CAS Name: 5-bromo-N-[[(2-butyl-5-tetrazolyl)amino]-sulfanylidenemethyl]-2-chlorobenzamide IUPAC Name: 5-bromo-N-[(2-butyltetrazol-5-yl)carbamothioyl]-2-chlorobenzamide Traditional Name: 5-bromo-N-[(2-butyltetrazol-5-yl)thiocarbamoyl]-2-chloro-benzamide Formula: C13H14BrClN6OS MolecularWeight: 417.71186

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1N=C(N=N1)NC(=S)NC(=O)C2=C(C=CC(=C2)Br)Cl

Isomeric SMILES

CCCCN1N=C(N=N1)NC(=S)NC(=O)C2=C(C=CC(=C2)Br)Cl

InChI

InChI=1S/C13H14BrClN6OS/c1-2-3-6-21-19-12(18-20-21)17-13(23)16-11(22)9-7-8(14)4-5-10(9)15/h4-5,7H,2-3,6H2,1H3,(H2,16,17,19,22,23)