N-[2-(4-chlorophenyl)sulfanylethyl]-3,5-dimethyl-1-(phenylmethyl)pyrazole-4-carboxamide

Systemtic Name: N-[2-(4-chlorophenyl)sulfanylethyl]-3,5-dimethyl-1-(phenylmethyl)pyrazole-4-carboxamide Openeye Name: 1-benzyl-N-[2-(4-chlorophenyl)sulfanylethyl]-3,5-dimethyl-pyrazole-4-carboxamide CAS Name: N-[2-[(4-chlorophenyl)thio]ethyl]-3,5-dimethyl-1-(phenylmethyl)-4-pyrazolecarboxamide IUPAC Name: 1-benzyl-N-[2-(4-chlorophenyl)sulfanylethyl]-3,5-dimethylpyrazole-4-carboxamide Traditional Name: 1-benzyl-N-[2-[(4-chlorophenyl)thio]ethyl]-3,5-dimethyl-pyrazole-4-carboxamide Formula: C21H22ClN3OS MolecularWeight: 399.93688

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=CC=C2)C)C(=O)NCCSC3=CC=C(C=C3)Cl

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=CC=C2)C)C(=O)NCCSC3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H22ClN3OS/c1-15-20(16(2)25(24-15)14-17-6-4-3-5-7-17)21(26)23-12-13-27-19-10-8-18(22)9-11-19/h3-11H,12-14H2,1-2H3,(H,23,26)