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

Systemtic Name: 5-bromanyl-N-[(2-butyl-1,2,3,4-tetrazol-5-yl)carbamothioyl]-2-methoxy-benzamide Openeye Name: 5-bromo-N-[(2-butyltetrazol-5-yl)carbamothioyl]-2-methoxy-benzamide CAS Name: 5-bromo-N-[[(2-butyl-5-tetrazolyl)amino]-sulfanylidenemethyl]-2-methoxybenzamide IUPAC Name: 5-bromo-N-[(2-butyltetrazol-5-yl)carbamothioyl]-2-methoxybenzamide Traditional Name: 5-bromo-N-[(2-butyltetrazol-5-yl)thiocarbamoyl]-2-methoxy-benzamide Formula: C14H17BrN6O2S MolecularWeight: 413.29278

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17BrN6O2S/c1-3-4-7-21-19-13(18-20-21)17-14(24)16-12(22)10-8-9(15)5-6-11(10)23-2/h5-6,8H,3-4,7H2,1-2H3,(H2,16,17,19,22,24)