2-(3,4-dimethylphenyl)sulfanyl-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]ethanamide

Systemtic Name: 2-(3,4-dimethylphenyl)sulfanyl-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]ethanamide Openeye Name: 2-(3,4-dimethylphenyl)sulfanyl-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide CAS Name: 2-[(3,4-dimethylphenyl)thio]-N-methyl-N-[(1-phenyl-4-pyrazolyl)methyl]acetamide IUPAC Name: 2-(3,4-dimethylphenyl)sulfanyl-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide Traditional Name: 2-[(3,4-dimethylphenyl)thio]-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide Formula: C21H23N3OS MolecularWeight: 365.49182

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SCC(=O)N(C)CC2=CN(N=C2)C3=CC=CC=C3)C

Isomeric SMILES

CC1=C(C=C(C=C1)SCC(=O)N(C)CC2=CN(N=C2)C3=CC=CC=C3)C

InChI

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