3,5-dimethyl-N-(4-piperidin-1-ylsulfonylphenyl)pyrazole-1-carbothioamide

Systemtic Name: 3,5-dimethyl-N-(4-piperidin-1-ylsulfonylphenyl)pyrazole-1-carbothioamide Openeye Name: 3,5-dimethyl-N-[4-(1-piperidylsulfonyl)phenyl]pyrazole-1-carbothioamide CAS Name: 3,5-dimethyl-N-[4-(1-piperidinylsulfonyl)phenyl]-1-pyrazolecarbothioamide IUPAC Name: 3,5-dimethyl-N-(4-piperidin-1-ylsulfonylphenyl)pyrazole-1-carbothioamide Traditional Name: 3,5-dimethyl-N-(4-piperidinosulfonylphenyl)pyrazole-1-carbothioamide Formula: C17H22N4O2S2 MolecularWeight: 378.51218

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3)C

Isomeric SMILES

CC1=CC(=NN1C(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3)C

InChI

InChI=1S/C17H22N4O2S2/c1-13-12-14(2)21(19-13)17(24)18-15-6-8-16(9-7-15)25(22,23)20-10-4-3-5-11-20/h6-9,12H,3-5,10-11H2,1-2H3,(H,18,24)