5-chloranyl-1,3-dimethyl-N-[2-(phenylmethylsulfanyl)ethyl]pyrazole-4-sulfonamide

Systemtic Name: 5-chloranyl-1,3-dimethyl-N-[2-(phenylmethylsulfanyl)ethyl]pyrazole-4-sulfonamide Openeye Name: N-(2-benzylsulfanylethyl)-5-chloro-1,3-dimethyl-pyrazole-4-sulfonamide CAS Name: 5-chloro-1,3-dimethyl-N-[2-(phenylmethylthio)ethyl]-4-pyrazolesulfonamide IUPAC Name: N-(2-benzylsulfanylethyl)-5-chloro-1,3-dimethylpyrazole-4-sulfonamide Traditional Name: N-[2-(benzylthio)ethyl]-5-chloro-1,3-dimethyl-pyrazole-4-sulfonamide Formula: C14H18ClN3O2S2 MolecularWeight: 359.89462

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1S(=O)(=O)NCCSCC2=CC=CC=C2)Cl)C

Isomeric SMILES

CC1=NN(C(=C1S(=O)(=O)NCCSCC2=CC=CC=C2)Cl)C

InChI

InChI=1S/C14H18ClN3O2S2/c1-11-13(14(15)18(2)17-11)22(19,20)16-8-9-21-10-12-6-4-3-5-7-12/h3-7,16H,8-10H2,1-2H3