2-(1,3-benzothiazol-2-ylsulfanyl)-N-(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)sulfonyl-N-ethyl-ethanamide

Systemtic Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)sulfonyl-N-ethyl-ethanamide Openeye Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(5-chloro-1,3-dimethyl-pyrazol-4-yl)sulfonyl-N-ethyl-acetamide CAS Name: 2-(1,3-benzothiazol-2-ylthio)-N-[(5-chloro-1,3-dimethyl-4-pyrazolyl)sulfonyl]-N-ethylacetamide IUPAC Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-N-ethylacetamide Traditional Name: 2-(1,3-benzothiazol-2-ylthio)-N-(5-chloro-1,3-dimethyl-pyrazol-4-yl)sulfonyl-N-ethyl-acetamide Formula: C16H17ClN4O3S3 MolecularWeight: 444.97918

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C(=O)CSC1=NC2=CC=CC=C2S1)S(=O)(=O)C3=C(N(N=C3C)C)Cl

Isomeric SMILES

CCN(C(=O)CSC1=NC2=CC=CC=C2S1)S(=O)(=O)C3=C(N(N=C3C)C)Cl

InChI

InChI=1S/C16H17ClN4O3S3/c1-4-21(27(23,24)14-10(2)19-20(3)15(14)17)13(22)9-25-16-18-11-7-5-6-8-12(11)26-16/h5-8H,4,9H2,1-3H3