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

Systemtic Name: N-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-2-(4-methylphenyl)sulfanyl-ethanamide Openeye Name: N-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-2-(p-tolylsulfanyl)acetamide CAS Name: N-[(3,5-dimethyl-1-phenyl-4-pyrazolyl)methyl]-2-[(4-methylphenyl)thio]acetamide IUPAC Name: N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2-(4-methylphenyl)sulfanylacetamide Traditional Name: N-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-2-(p-tolylthio)acetamide Formula: C21H23N3OS MolecularWeight: 365.49182

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCC(=O)NCC2=C(N(N=C2C)C3=CC=CC=C3)C

Isomeric SMILES

CC1=CC=C(C=C1)SCC(=O)NCC2=C(N(N=C2C)C3=CC=CC=C3)C

InChI

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