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

Systemtic Name: N-[(2-butyl-1,2,3,4-tetrazol-5-yl)carbamothioyl]-2-chloranyl-5-iodanyl-benzamide Openeye Name: N-[(2-butyltetrazol-5-yl)carbamothioyl]-2-chloro-5-iodo-benzamide CAS Name: N-[[(2-butyl-5-tetrazolyl)amino]-sulfanylidenemethyl]-2-chloro-5-iodobenzamide IUPAC Name: N-[(2-butyltetrazol-5-yl)carbamothioyl]-2-chloro-5-iodobenzamide Traditional Name: N-[(2-butyltetrazol-5-yl)thiocarbamoyl]-2-chloro-5-iodo-benzamide Formula: C13H14ClIN6OS MolecularWeight: 464.71233

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14ClIN6OS/c1-2-3-6-21-19-12(18-20-21)17-13(23)16-11(22)9-7-8(15)4-5-10(9)14/h4-5,7H,2-3,6H2,1H3,(H2,16,17,19,22,23)