N-(3-chloranyl-4-methyl-phenyl)-2-[(4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methylsulfanyl]ethanamide

Systemtic Name: N-(3-chloranyl-4-methyl-phenyl)-2-[(4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methylsulfanyl]ethanamide Openeye Name: N-(3-chloro-4-methyl-phenyl)-2-[(4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methylsulfanyl]acetamide CAS Name: N-(3-chloro-4-methylphenyl)-2-[(4-cyano-5-methyl-2-phenyl-3-pyrazolyl)methylthio]acetamide IUPAC Name: N-(3-chloro-4-methylphenyl)-2-[(4-cyano-5-methyl-2-phenylpyrazol-3-yl)methylsulfanyl]acetamide Traditional Name: N-(3-chloro-4-methyl-phenyl)-2-[(4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methylthio]acetamide Formula: C21H19ClN4OS MolecularWeight: 410.91976

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CSCC2=C(C(=NN2C3=CC=CC=C3)C)C#N)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CSCC2=C(C(=NN2C3=CC=CC=C3)C)C#N)Cl

InChI

InChI=1S/C21H19ClN4OS/c1-14-8-9-16(10-19(14)22)24-21(27)13-28-12-20-18(11-23)15(2)25-26(20)17-6-4-3-5-7-17/h3-10H,12-13H2,1-2H3,(H,24,27)