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

Systemtic Name: 3,5-dimethyl-1-[(4-methylphenyl)methyl]-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]pyrazole-4-carboxamide Openeye Name: 3,5-dimethyl-1-(p-tolylmethyl)-N-[2-(2-thienylmethylsulfanyl)ethyl]pyrazole-4-carboxamide CAS Name: 3,5-dimethyl-1-[(4-methylphenyl)methyl]-N-[2-(thiophen-2-ylmethylthio)ethyl]-4-pyrazolecarboxamide IUPAC Name: 3,5-dimethyl-1-[(4-methylphenyl)methyl]-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]pyrazole-4-carboxamide Traditional Name: 3,5-dimethyl-1-(4-methylbenzyl)-N-[2-(2-thenylthio)ethyl]pyrazole-4-carboxamide Formula: C21H25N3OS2 MolecularWeight: 399.5727

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C(=C(C(=N2)C)C(=O)NCCSCC3=CC=CS3)C

Isomeric SMILES

CC1=CC=C(C=C1)CN2C(=C(C(=N2)C)C(=O)NCCSCC3=CC=CS3)C

InChI

InChI=1S/C21H25N3OS2/c1-15-6-8-18(9-7-15)13-24-17(3)20(16(2)23-24)21(25)22-10-12-26-14-19-5-4-11-27-19/h4-9,11H,10,12-14H2,1-3H3,(H,22,25)