1-(2,4-dichlorophenyl)-5-(4-isothiocyanatophenyl)-4-methyl-N-piperidin-1-yl-pyrazole-3-carboxamide

Systemtic Name: 1-(2,4-dichlorophenyl)-5-(4-isothiocyanatophenyl)-4-methyl-N-piperidin-1-yl-pyrazole-3-carboxamide Openeye Name: 1-(2,4-dichlorophenyl)-5-(4-isothiocyanatophenyl)-4-methyl-N-(1-piperidyl)pyrazole-3-carboxamide CAS Name: 1-(2,4-dichlorophenyl)-5-(4-isothiocyanatophenyl)-4-methyl-N-(1-piperidinyl)-3-pyrazolecarboxamide IUPAC Name: 1-(2,4-dichlorophenyl)-5-(4-isothiocyanatophenyl)-4-methyl-N-piperidin-1-ylpyrazole-3-carboxamide Traditional Name: 1-(2,4-dichlorophenyl)-5-(4-isothiocyanatophenyl)-4-methyl-N-piperidino-pyrazole-3-carboxamide Formula: C23H21Cl2N5OS MolecularWeight: 486.41674

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(N=C1C(=O)NN2CCCCC2)C3=C(C=C(C=C3)Cl)Cl)C4=CC=C(C=C4)N=C=S

Isomeric SMILES

CC1=C(N(N=C1C(=O)NN2CCCCC2)C3=C(C=C(C=C3)Cl)Cl)C4=CC=C(C=C4)N=C=S

InChI

InChI=1S/C23H21Cl2N5OS/c1-15-21(23(31)28-29-11-3-2-4-12-29)27-30(20-10-7-17(24)13-19(20)25)22(15)16-5-8-18(9-6-16)26-14-32/h5-10,13H,2-4,11-12H2,1H3,(H,28,31)