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

Systemtic Name: 5-(4-chlorophenyl)-4-methyl-4-(3-methylsulfanylpropyl)-N-(3-methylthiophen-2-yl)-3H-pyrazole-2-carboxamide Openeye Name: 5-(4-chlorophenyl)-4-methyl-4-(3-methylsulfanylpropyl)-N-(3-methyl-2-thienyl)-3H-pyrazole-2-carboxamide CAS Name: 5-(4-chlorophenyl)-4-methyl-N-(3-methyl-2-thiophenyl)-4-[3-(methylthio)propyl]-3H-pyrazole-2-carboxamide IUPAC Name: 5-(4-chlorophenyl)-4-methyl-4-(3-methylsulfanylpropyl)-N-(3-methylthiophen-2-yl)-3H-pyrazole-2-carboxamide Traditional Name: 3-(4-chlorophenyl)-4-methyl-N-(3-methyl-2-thienyl)-4-[3-(methylthio)propyl]-2-pyrazoline-1-carboxamide Formula: C20H24ClN3OS2 MolecularWeight: 422.00706

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)NC(=O)N2CC(C(=N2)C3=CC=C(C=C3)Cl)(C)CCCSC

Isomeric SMILES

CC1=C(SC=C1)NC(=O)N2CC(C(=N2)C3=CC=C(C=C3)Cl)(C)CCCSC

InChI

InChI=1S/C20H24ClN3OS2/c1-14-9-12-27-18(14)22-19(25)24-13-20(2,10-4-11-26-3)17(23-24)15-5-7-16(21)8-6-15/h5-9,12H,4,10-11,13H2,1-3H3,(H,22,25)