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

Systemtic Name: N-[(2-butyl-1,2,3,4-tetrazol-5-yl)carbamothioyl]-3-fluoranyl-benzamide Openeye Name: N-[(2-butyltetrazol-5-yl)carbamothioyl]-3-fluoro-benzamide CAS Name: N-[[(2-butyl-5-tetrazolyl)amino]-sulfanylidenemethyl]-3-fluorobenzamide IUPAC Name: N-[(2-butyltetrazol-5-yl)carbamothioyl]-3-fluorobenzamide Traditional Name: N-[(2-butyltetrazol-5-yl)thiocarbamoyl]-3-fluoro-benzamide Formula: C13H15FN6OS MolecularWeight: 322.361203

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15FN6OS/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)