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

Systemtic Name: 3,5-dimethyl-1-[(4-methylphenyl)methyl]-N-[2-(phenylmethylsulfanyl)ethyl]pyrazole-4-carboxamide Openeye Name: N-(2-benzylsulfanylethyl)-3,5-dimethyl-1-(p-tolylmethyl)pyrazole-4-carboxamide CAS Name: 3,5-dimethyl-1-[(4-methylphenyl)methyl]-N-[2-(phenylmethylthio)ethyl]-4-pyrazolecarboxamide IUPAC Name: N-(2-benzylsulfanylethyl)-3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide Traditional Name: N-[2-(benzylthio)ethyl]-3,5-dimethyl-1-(4-methylbenzyl)pyrazole-4-carboxamide Formula: C23H27N3OS MolecularWeight: 393.54498

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C(=C(C(=N2)C)C(=O)NCCSCC3=CC=CC=C3)C

Isomeric SMILES

CC1=CC=C(C=C1)CN2C(=C(C(=N2)C)C(=O)NCCSCC3=CC=CC=C3)C

InChI

InChI=1S/C23H27N3OS/c1-17-9-11-20(12-10-17)15-26-19(3)22(18(2)25-26)23(27)24-13-14-28-16-21-7-5-4-6-8-21/h4-12H,13-16H2,1-3H3,(H,24,27)