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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCN1N=C(N=N1)NC(=S)NC(=O)C2=C(C=C(C=C2)C)Cl

Isomeric SMILES

CCN1N=C(N=N1)NC(=S)NC(=O)C2=C(C=C(C=C2)C)Cl

InChI

InChI=1S/C12H13ClN6OS/c1-3-19-17-11(16-18-19)15-12(21)14-10(20)8-5-4-7(2)6-9(8)13/h4-6H,3H2,1-2H3,(H2,14,15,17,20,21)