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

Systemtic Name: 3-chloranyl-N-[(2-propyl-1,2,3,4-tetrazol-5-yl)carbamothioyl]benzamide Openeye Name: 3-chloro-N-[(2-propyltetrazol-5-yl)carbamothioyl]benzamide CAS Name: 3-chloro-N-[[(2-propyl-5-tetrazolyl)amino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-chloro-N-[(2-propyltetrazol-5-yl)carbamothioyl]benzamide Traditional Name: 3-chloro-N-[(2-propyltetrazol-5-yl)thiocarbamoyl]benzamide Formula: C12H13ClN6OS MolecularWeight: 324.78922

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1N=C(N=N1)NC(=S)NC(=O)C2=CC(=CC=C2)Cl

Isomeric SMILES

CCCN1N=C(N=N1)NC(=S)NC(=O)C2=CC(=CC=C2)Cl

InChI

InChI=1S/C12H13ClN6OS/c1-2-6-19-17-11(16-18-19)15-12(21)14-10(20)8-4-3-5-9(13)7-8/h3-5,7H,2,6H2,1H3,(H2,14,15,17,20,21)