1-(3-chlorophenyl)-5-methyl-N-[2-(phenylmethylsulfanyl)ethyl]pyrazole-4-carboxamide

Systemtic Name: 1-(3-chlorophenyl)-5-methyl-N-[2-(phenylmethylsulfanyl)ethyl]pyrazole-4-carboxamide Openeye Name: N-(2-benzylsulfanylethyl)-1-(3-chlorophenyl)-5-methyl-pyrazole-4-carboxamide CAS Name: 1-(3-chlorophenyl)-5-methyl-N-[2-(phenylmethylthio)ethyl]-4-pyrazolecarboxamide IUPAC Name: N-(2-benzylsulfanylethyl)-1-(3-chlorophenyl)-5-methylpyrazole-4-carboxamide Traditional Name: N-[2-(benzylthio)ethyl]-1-(3-chlorophenyl)-5-methyl-pyrazole-4-carboxamide Formula: C20H20ClN3OS MolecularWeight: 385.9103

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C2=CC(=CC=C2)Cl)C(=O)NCCSCC3=CC=CC=C3

Isomeric SMILES

CC1=C(C=NN1C2=CC(=CC=C2)Cl)C(=O)NCCSCC3=CC=CC=C3

InChI

InChI=1S/C20H20ClN3OS/c1-15-19(13-23-24(15)18-9-5-8-17(21)12-18)20(25)22-10-11-26-14-16-6-3-2-4-7-16/h2-9,12-13H,10-11,14H2,1H3,(H,22,25)