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

Systemtic Name: N-[(2-butyl-1,2,3,4-tetrazol-5-yl)carbamothioyl]-3-chloranyl-4-methyl-benzamide Openeye Name: N-[(2-butyltetrazol-5-yl)carbamothioyl]-3-chloro-4-methyl-benzamide CAS Name: N-[[(2-butyl-5-tetrazolyl)amino]-sulfanylidenemethyl]-3-chloro-4-methylbenzamide IUPAC Name: N-[(2-butyltetrazol-5-yl)carbamothioyl]-3-chloro-4-methylbenzamide Traditional Name: N-[(2-butyltetrazol-5-yl)thiocarbamoyl]-3-chloro-4-methyl-benzamide Formula: C14H17ClN6OS MolecularWeight: 352.84238

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17ClN6OS/c1-3-4-7-21-19-13(18-20-21)17-14(23)16-12(22)10-6-5-9(2)11(15)8-10/h5-6,8H,3-4,7H2,1-2H3,(H2,16,17,19,22,23)