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

Systemtic Name: (4-tert-butylphenyl)-[3,5-dimethyl-4-(4-methylphenyl)sulfanyl-pyrazol-1-yl]methanone Openeye Name: (4-tert-butylphenyl)-[3,5-dimethyl-4-(p-tolylsulfanyl)pyrazol-1-yl]methanone CAS Name: (4-tert-butylphenyl)-[3,5-dimethyl-4-[(4-methylphenyl)thio]-1-pyrazolyl]methanone IUPAC Name: (4-tert-butylphenyl)-[3,5-dimethyl-4-(4-methylphenyl)sulfanylpyrazol-1-yl]methanone Traditional Name: (4-tert-butylphenyl)-[3,5-dimethyl-4-(p-tolylthio)pyrazol-1-yl]methanone Formula: C23H26N2OS MolecularWeight: 378.53034

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=C(N(N=C2C)C(=O)C3=CC=C(C=C3)C(C)(C)C)C

Isomeric SMILES

CC1=CC=C(C=C1)SC2=C(N(N=C2C)C(=O)C3=CC=C(C=C3)C(C)(C)C)C

InChI

InChI=1S/C23H26N2OS/c1-15-7-13-20(14-8-15)27-21-16(2)24-25(17(21)3)22(26)18-9-11-19(12-10-18)23(4,5)6/h7-14H,1-6H3