1-(3-chloranyl-4-methyl-phenyl)-N-(3-methylsulfanylphenyl)-5-piperidin-4-yl-pyrazole-4-carboxamide

Systemtic Name: 1-(3-chloranyl-4-methyl-phenyl)-N-(3-methylsulfanylphenyl)-5-piperidin-4-yl-pyrazole-4-carboxamide Openeye Name: 1-(3-chloro-4-methyl-phenyl)-N-(3-methylsulfanylphenyl)-5-(4-piperidyl)pyrazole-4-carboxamide CAS Name: 1-(3-chloro-4-methylphenyl)-N-[3-(methylthio)phenyl]-5-(4-piperidinyl)-4-pyrazolecarboxamide IUPAC Name: 1-(3-chloro-4-methylphenyl)-N-(3-methylsulfanylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide Traditional Name: 1-(3-chloro-4-methyl-phenyl)-N-[3-(methylthio)phenyl]-5-(4-piperidyl)pyrazole-4-carboxamide Formula: C23H25ClN4OS MolecularWeight: 440.9888

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=C(C=N2)C(=O)NC3=CC(=CC=C3)SC)C4CCNCC4)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=C(C=N2)C(=O)NC3=CC(=CC=C3)SC)C4CCNCC4)Cl

InChI

InChI=1S/C23H25ClN4OS/c1-15-6-7-18(13-21(15)24)28-22(16-8-10-25-11-9-16)20(14-26-28)23(29)27-17-4-3-5-19(12-17)30-2/h3-7,12-14,16,25H,8-11H2,1-2H3,(H,27,29)