(4-tert-butylphenyl)-[4-(4-chlorophenyl)sulfanyl-3,5-dimethyl-pyrazol-1-yl]methanone

Systemtic Name: (4-tert-butylphenyl)-[4-(4-chlorophenyl)sulfanyl-3,5-dimethyl-pyrazol-1-yl]methanone Openeye Name: (4-tert-butylphenyl)-[4-(4-chlorophenyl)sulfanyl-3,5-dimethyl-pyrazol-1-yl]methanone CAS Name: (4-tert-butylphenyl)-[4-[(4-chlorophenyl)thio]-3,5-dimethyl-1-pyrazolyl]methanone IUPAC Name: (4-tert-butylphenyl)-[4-(4-chlorophenyl)sulfanyl-3,5-dimethylpyrazol-1-yl]methanone Traditional Name: (4-tert-butylphenyl)-[4-[(4-chlorophenyl)thio]-3,5-dimethyl-pyrazol-1-yl]methanone Formula: C22H23ClN2OS MolecularWeight: 398.94882

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C(=O)C2=CC=C(C=C2)C(C)(C)C)C)SC3=CC=C(C=C3)Cl

Isomeric SMILES

CC1=C(C(=NN1C(=O)C2=CC=C(C=C2)C(C)(C)C)C)SC3=CC=C(C=C3)Cl

InChI

InChI=1S/C22H23ClN2OS/c1-14-20(27-19-12-10-18(23)11-13-19)15(2)25(24-14)21(26)16-6-8-17(9-7-16)22(3,4)5/h6-13H,1-5H3