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

Systemtic Name: 2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)sulfanyl-N-[(4-methoxyphenyl)methyl]ethanamide Openeye Name: 2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)sulfanyl-N-[(4-methoxyphenyl)methyl]acetamide CAS Name: 2-[(3,5-dimethyl-1-phenyl-4-pyrazolyl)thio]-N-[(4-methoxyphenyl)methyl]acetamide IUPAC Name: 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfanyl-N-[(4-methoxyphenyl)methyl]acetamide Traditional Name: 2-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)thio]-N-p-anisyl-acetamide Formula: C21H23N3O2S MolecularWeight: 381.49122

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)SCC(=O)NCC3=CC=C(C=C3)OC

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)SCC(=O)NCC3=CC=C(C=C3)OC

InChI

InChI=1S/C21H23N3O2S/c1-15-21(16(2)24(23-15)18-7-5-4-6-8-18)27-14-20(25)22-13-17-9-11-19(26-3)12-10-17/h4-12H,13-14H2,1-3H3,(H,22,25)