N,3,5-trimethyl-N-[(4-methylsulfanylphenyl)methyl]-1H-pyrazole-4-sulfonamide

Systemtic Name: N,3,5-trimethyl-N-[(4-methylsulfanylphenyl)methyl]-1H-pyrazole-4-sulfonamide Openeye Name: N,3,5-trimethyl-N-[(4-methylsulfanylphenyl)methyl]-1H-pyrazole-4-sulfonamide CAS Name: N,3,5-trimethyl-N-[[4-(methylthio)phenyl]methyl]-1H-pyrazole-4-sulfonamide IUPAC Name: N,3,5-trimethyl-N-[(4-methylsulfanylphenyl)methyl]-1H-pyrazole-4-sulfonamide Traditional Name: N,3,5-trimethyl-N-[4-(methylthio)benzyl]-1H-pyrazole-4-sulfonamide Formula: C14H19N3O2S2 MolecularWeight: 325.44956

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1)C)S(=O)(=O)N(C)CC2=CC=C(C=C2)SC

Isomeric SMILES

CC1=C(C(=NN1)C)S(=O)(=O)N(C)CC2=CC=C(C=C2)SC

InChI

InChI=1S/C14H19N3O2S2/c1-10-14(11(2)16-15-10)21(18,19)17(3)9-12-5-7-13(20-4)8-6-12/h5-8H,9H2,1-4H3,(H,15,16)