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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(N=C1C(=O)NN2CCCCC2)C3=C(C=C(C=C3)Cl)Cl)C4=CC=CC=C4N=C=S

Isomeric SMILES

CC1=C(N(N=C1C(=O)NN2CCCCC2)C3=C(C=C(C=C3)Cl)Cl)C4=CC=CC=C4N=C=S

InChI

InChI=1S/C23H21Cl2N5OS/c1-15-21(23(31)28-29-11-5-2-6-12-29)27-30(20-10-9-16(24)13-18(20)25)22(15)17-7-3-4-8-19(17)26-14-32/h3-4,7-10,13H,2,5-6,11-12H2,1H3,(H,28,31)