N-[1-[(2-chlorophenyl)methyl]-3,5-dimethyl-pyrazol-4-yl]-2-phenylsulfanyl-ethanamide

Systemtic Name: N-[1-[(2-chlorophenyl)methyl]-3,5-dimethyl-pyrazol-4-yl]-2-phenylsulfanyl-ethanamide Openeye Name: N-[1-[(2-chlorophenyl)methyl]-3,5-dimethyl-pyrazol-4-yl]-2-phenylsulfanyl-acetamide CAS Name: N-[1-[(2-chlorophenyl)methyl]-3,5-dimethyl-4-pyrazolyl]-2-(phenylthio)acetamide IUPAC Name: N-[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-2-phenylsulfanylacetamide Traditional Name: N-[1-(2-chlorobenzyl)-3,5-dimethyl-pyrazol-4-yl]-2-(phenylthio)acetamide Formula: C20H20ClN3OS MolecularWeight: 385.9103

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=CC=C2Cl)C)NC(=O)CSC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=CC=C2Cl)C)NC(=O)CSC3=CC=CC=C3

InChI

InChI=1S/C20H20ClN3OS/c1-14-20(22-19(25)13-26-17-9-4-3-5-10-17)15(2)24(23-14)12-16-8-6-7-11-18(16)21/h3-11H,12-13H2,1-2H3,(H,22,25)