3,5-dimethyl-1-phenyl-N-[2-(phenylmethylsulfanyl)ethyl]pyrazole-4-carboxamide

Systemtic Name: 3,5-dimethyl-1-phenyl-N-[2-(phenylmethylsulfanyl)ethyl]pyrazole-4-carboxamide Openeye Name: N-(2-benzylsulfanylethyl)-3,5-dimethyl-1-phenyl-pyrazole-4-carboxamide CAS Name: 3,5-dimethyl-1-phenyl-N-[2-(phenylmethylthio)ethyl]-4-pyrazolecarboxamide IUPAC Name: N-(2-benzylsulfanylethyl)-3,5-dimethyl-1-phenylpyrazole-4-carboxamide Traditional Name: N-[2-(benzylthio)ethyl]-3,5-dimethyl-1-phenyl-pyrazole-4-carboxamide Formula: C21H23N3OS MolecularWeight: 365.49182

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3OS/c1-16-20(17(2)24(23-16)19-11-7-4-8-12-19)21(25)22-13-14-26-15-18-9-5-3-6-10-18/h3-12H,13-15H2,1-2H3,(H,22,25)