5-chloranyl-1,3-dimethyl-N-[(4-methylsulfanylphenyl)methyl]pyrazole-4-sulfonamide

Systemtic Name: 5-chloranyl-1,3-dimethyl-N-[(4-methylsulfanylphenyl)methyl]pyrazole-4-sulfonamide Openeye Name: 5-chloro-1,3-dimethyl-N-[(4-methylsulfanylphenyl)methyl]pyrazole-4-sulfonamide CAS Name: 5-chloro-1,3-dimethyl-N-[[4-(methylthio)phenyl]methyl]-4-pyrazolesulfonamide IUPAC Name: 5-chloro-1,3-dimethyl-N-[(4-methylsulfanylphenyl)methyl]pyrazole-4-sulfonamide Traditional Name: 5-chloro-1,3-dimethyl-N-[4-(methylthio)benzyl]pyrazole-4-sulfonamide Formula: C13H16ClN3O2S2 MolecularWeight: 345.86804

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1S(=O)(=O)NCC2=CC=C(C=C2)SC)Cl)C

Isomeric SMILES

CC1=NN(C(=C1S(=O)(=O)NCC2=CC=C(C=C2)SC)Cl)C

InChI

InChI=1S/C13H16ClN3O2S2/c1-9-12(13(14)17(2)16-9)21(18,19)15-8-10-4-6-11(20-3)7-5-10/h4-7,15H,8H2,1-3H3