2-[(4-cyanophenyl)methylsulfanyl]-N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)ethanamide

Systemtic Name: 2-[(4-cyanophenyl)methylsulfanyl]-N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)ethanamide Openeye Name: 2-[(4-cyanophenyl)methylsulfanyl]-N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)acetamide CAS Name: 2-[(4-cyanophenyl)methylthio]-N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)acetamide IUPAC Name: 2-[(4-cyanophenyl)methylsulfanyl]-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide Traditional Name: 2-[(4-cyanobenzyl)thio]-N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)acetamide Formula: C21H20N4O2S MolecularWeight: 392.4741

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)CSCC3=CC=C(C=C3)C#N

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)CSCC3=CC=C(C=C3)C#N

InChI

InChI=1S/C21H20N4O2S/c1-15-20(21(27)25(24(15)2)18-6-4-3-5-7-18)23-19(26)14-28-13-17-10-8-16(12-22)9-11-17/h3-11H,13-14H2,1-2H3,(H,23,26)