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

Systemtic Name: 3-bromanyl-N-[(2-butyl-1,2,3,4-tetrazol-5-yl)carbamothioyl]benzamide Openeye Name: 3-bromo-N-[(2-butyltetrazol-5-yl)carbamothioyl]benzamide CAS Name: 3-bromo-N-[[(2-butyl-5-tetrazolyl)amino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-N-[(2-butyltetrazol-5-yl)carbamothioyl]benzamide Traditional Name: 3-bromo-N-[(2-butyltetrazol-5-yl)thiocarbamoyl]benzamide Formula: C13H15BrN6OS MolecularWeight: 383.2668

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15BrN6OS/c1-2-3-7-20-18-12(17-19-20)16-13(22)15-11(21)9-5-4-6-10(14)8-9/h4-6,8H,2-3,7H2,1H3,(H2,15,16,18,21,22)