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

Systemtic Name: N-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]-2-phenylsulfanyl-ethanamide Openeye Name: N-[3,5-dimethyl-1-(p-tolylmethyl)pyrazol-4-yl]-2-phenylsulfanyl-acetamide CAS Name: N-[3,5-dimethyl-1-[(4-methylphenyl)methyl]-4-pyrazolyl]-2-(phenylthio)acetamide IUPAC Name: N-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]-2-phenylsulfanylacetamide Traditional Name: N-[3,5-dimethyl-1-(4-methylbenzyl)pyrazol-4-yl]-2-(phenylthio)acetamide Formula: C21H23N3OS MolecularWeight: 365.49182

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C(=C(C(=N2)C)NC(=O)CSC3=CC=CC=C3)C

Isomeric SMILES

CC1=CC=C(C=C1)CN2C(=C(C(=N2)C)NC(=O)CSC3=CC=CC=C3)C

InChI

InChI=1S/C21H23N3OS/c1-15-9-11-18(12-10-15)13-24-17(3)21(16(2)23-24)22-20(25)14-26-19-7-5-4-6-8-19/h4-12H,13-14H2,1-3H3,(H,22,25)