2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)sulfanyl-N-(4-ethoxyphenyl)ethanamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)CSC2=C(N(N=C2C)C3=CC=CC=C3)C

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)CSC2=C(N(N=C2C)C3=CC=CC=C3)C

InChI

InChI=1S/C21H23N3O2S/c1-4-26-19-12-10-17(11-13-19)22-20(25)14-27-21-15(2)23-24(16(21)3)18-8-6-5-7-9-18/h5-13H,4,14H2,1-3H3,(H,22,25)