4-[3-(4-chlorophenyl)-5-(1-methylpiperidin-4-yl)-1H-pyrazol-4-yl]-2-methylsulfanyl-pyrimidine

Systemtic Name: 4-[3-(4-chlorophenyl)-5-(1-methylpiperidin-4-yl)-1H-pyrazol-4-yl]-2-methylsulfanyl-pyrimidine Openeye Name: 4-[3-(4-chlorophenyl)-5-(1-methyl-4-piperidyl)-1H-pyrazol-4-yl]-2-methylsulfanyl-pyrimidine CAS Name: 4-[3-(4-chlorophenyl)-5-(1-methyl-4-piperidinyl)-1H-pyrazol-4-yl]-2-(methylthio)pyrimidine IUPAC Name: 4-[3-(4-chlorophenyl)-5-(1-methylpiperidin-4-yl)-1H-pyrazol-4-yl]-2-methylsulfanylpyrimidine Traditional Name: 4-[3-(4-chlorophenyl)-5-(1-methyl-4-piperidyl)-1H-pyrazol-4-yl]-2-(methylthio)pyrimidine Formula: C20H22ClN5S MolecularWeight: 399.94018

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(CC1)C2=C(C(=NN2)C3=CC=C(C=C3)Cl)C4=NC(=NC=C4)SC

Isomeric SMILES

CN1CCC(CC1)C2=C(C(=NN2)C3=CC=C(C=C3)Cl)C4=NC(=NC=C4)SC

InChI

InChI=1S/C20H22ClN5S/c1-26-11-8-14(9-12-26)19-17(16-7-10-22-20(23-16)27-2)18(24-25-19)13-3-5-15(21)6-4-13/h3-7,10,14H,8-9,11-12H2,1-2H3,(H,24,25)