5-(4-chlorophenyl)-4-methyl-4-(3-methylsulfanylpropyl)-N-phenyl-3H-pyrazole-2-carboxamide

Systemtic Name: 5-(4-chlorophenyl)-4-methyl-4-(3-methylsulfanylpropyl)-N-phenyl-3H-pyrazole-2-carboxamide Openeye Name: 5-(4-chlorophenyl)-4-methyl-4-(3-methylsulfanylpropyl)-N-phenyl-3H-pyrazole-2-carboxamide CAS Name: 5-(4-chlorophenyl)-4-methyl-4-[3-(methylthio)propyl]-N-phenyl-3H-pyrazole-2-carboxamide IUPAC Name: 5-(4-chlorophenyl)-4-methyl-4-(3-methylsulfanylpropyl)-N-phenyl-3H-pyrazole-2-carboxamide Traditional Name: 3-(4-chlorophenyl)-4-methyl-4-[3-(methylthio)propyl]-N-phenyl-2-pyrazoline-1-carboxamide Formula: C21H24ClN3OS MolecularWeight: 401.95276

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CN(N=C1C2=CC=C(C=C2)Cl)C(=O)NC3=CC=CC=C3)CCCSC

Isomeric SMILES

CC1(CN(N=C1C2=CC=C(C=C2)Cl)C(=O)NC3=CC=CC=C3)CCCSC

InChI

InChI=1S/C21H24ClN3OS/c1-21(13-6-14-27-2)15-25(20(26)23-18-7-4-3-5-8-18)24-19(21)16-9-11-17(22)12-10-16/h3-5,7-12H,6,13-15H2,1-2H3,(H,23,26)