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

Systemtic Name: 3-chloranyl-N-[[2-(2-methylpropyl)-1,2,3,4-tetrazol-5-yl]carbamothioyl]benzamide Openeye Name: 3-chloro-N-[(2-isobutyltetrazol-5-yl)carbamothioyl]benzamide CAS Name: 3-chloro-N-[[[2-(2-methylpropyl)-5-tetrazolyl]amino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-chloro-N-[[2-(2-methylpropyl)tetrazol-5-yl]carbamothioyl]benzamide Traditional Name: 3-chloro-N-[(2-isobutyltetrazol-5-yl)thiocarbamoyl]benzamide Formula: C13H15ClN6OS MolecularWeight: 338.8158

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1N=C(N=N1)NC(=S)NC(=O)C2=CC(=CC=C2)Cl

Isomeric SMILES

CC(C)CN1N=C(N=N1)NC(=S)NC(=O)C2=CC(=CC=C2)Cl

InChI

InChI=1S/C13H15ClN6OS/c1-8(2)7-20-18-12(17-19-20)16-13(22)15-11(21)9-4-3-5-10(14)6-9/h3-6,8H,7H2,1-2H3,(H2,15,16,18,21,22)