3-[3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-4-yl]pyridine; N-piperidin-1-ylsulfonylpyrazole-1-carbothioamide

Systemtic Name: 3-[3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-4-yl]pyridine; N-piperidin-1-ylsulfonylpyrazole-1-carbothioamide Openeye Name: 3-[3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-4-yl]pyridine; N-(1-piperidylsulfonyl)pyrazole-1-carbothioamide CAS Name: 3-[3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-4-yl]pyridine; N-(1-piperidinylsulfonyl)-1-pyrazolecarbothioamide IUPAC Name: 3-[3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-4-yl]pyridine; N-piperidin-1-ylsulfonylpyrazole-1-carbothioamide Traditional Name: 3-[3-(4-chlorophenyl)-2-pyrazolin-4-yl]pyridine; N-piperidinosulfonylpyrazole-1-carbothioamide Formula: C23H26ClN7O2S2 MolecularWeight: 532.08124

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)NC(=S)N2C=CC=N2.C1C(C(=NN1)C2=CC=C(C=C2)Cl)C3=CN=CC=C3

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)NC(=S)N2C=CC=N2.C1C(C(=NN1)C2=CC=C(C=C2)Cl)C3=CN=CC=C3

InChI

InChI=1S/C14H12ClN3.C9H14N4O2S2/c15-12-5-3-10(4-6-12)14-13(9-17-18-14)11-2-1-7-16-8-11;14-17(15,12-6-2-1-3-7-12)11-9(16)13-8-4-5-10-13/h1-8,13,17H,9H2;4-5,8H,1-3,6-7H2,(H,11,16)