3-(4-chlorophenyl)-1-(2-methylpropanoyl)-5-methylsulfanyl-pyrazole-4-carbonitrile

Systemtic Name: 3-(4-chlorophenyl)-1-(2-methylpropanoyl)-5-methylsulfanyl-pyrazole-4-carbonitrile Openeye Name: 3-(4-chlorophenyl)-1-(2-methylpropanoyl)-5-methylsulfanyl-pyrazole-4-carbonitrile CAS Name: 3-(4-chlorophenyl)-1-(2-methyl-1-oxopropyl)-5-(methylthio)-4-pyrazolecarbonitrile IUPAC Name: 3-(4-chlorophenyl)-1-(2-methylpropanoyl)-5-methylsulfanylpyrazole-4-carbonitrile Traditional Name: 3-(4-chlorophenyl)-1-isobutyryl-5-(methylthio)pyrazole-4-carbonitrile Formula: C15H14ClN3OS MolecularWeight: 319.80916

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)N1C(=C(C(=N1)C2=CC=C(C=C2)Cl)C#N)SC

Isomeric SMILES

CC(C)C(=O)N1C(=C(C(=N1)C2=CC=C(C=C2)Cl)C#N)SC

InChI

InChI=1S/C15H14ClN3OS/c1-9(2)14(20)19-15(21-3)12(8-17)13(18-19)10-4-6-11(16)7-5-10/h4-7,9H,1-3H3