5-chloranyl-N-methyl-benzotriazole-1-carbothioamide

Systemtic Name: 5-chloranyl-N-methyl-benzotriazole-1-carbothioamide Openeye Name: 5-chloro-N-methyl-benzotriazole-1-carbothioamide CAS Name: 5-chloro-N-methyl-1-benzotriazolecarbothioamide IUPAC Name: 5-chloro-N-methylbenzotriazole-1-carbothioamide Traditional Name: 5-chloro-N-methyl-benzotriazole-1-carbothioamide Formula: C8H7ClN4S MolecularWeight: 226.68598

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=S)N1C2=C(C=C(C=C2)Cl)N=N1

Isomeric SMILES

CNC(=S)N1C2=C(C=C(C=C2)Cl)N=N1

InChI

InChI=1S/C8H7ClN4S/c1-10-8(14)13-7-3-2-5(9)4-6(7)11-12-13/h2-4H,1H3,(H,10,14)