(4-chlorophenyl)-[2-(3,5-dimethyl-4-phenylsulfanyl-pyrazol-1-yl)carbonylphenyl]methanone

Systemtic Name: (4-chlorophenyl)-[2-(3,5-dimethyl-4-phenylsulfanyl-pyrazol-1-yl)carbonylphenyl]methanone Openeye Name: (4-chlorophenyl)-[2-(3,5-dimethyl-4-phenylsulfanyl-pyrazole-1-carbonyl)phenyl]methanone CAS Name: (4-chlorophenyl)-[2-[[3,5-dimethyl-4-(phenylthio)-1-pyrazolyl]-oxomethyl]phenyl]methanone IUPAC Name: (4-chlorophenyl)-[2-(3,5-dimethyl-4-phenylsulfanylpyrazole-1-carbonyl)phenyl]methanone Traditional Name: (4-chlorophenyl)-[2-[3,5-dimethyl-4-(phenylthio)pyrazole-1-carbonyl]phenyl]methanone Formula: C25H19ClN2O2S MolecularWeight: 446.94856

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C(=O)C2=CC=CC=C2C(=O)C3=CC=C(C=C3)Cl)C)SC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=NN1C(=O)C2=CC=CC=C2C(=O)C3=CC=C(C=C3)Cl)C)SC4=CC=CC=C4

InChI

InChI=1S/C25H19ClN2O2S/c1-16-24(31-20-8-4-3-5-9-20)17(2)28(27-16)25(30)22-11-7-6-10-21(22)23(29)18-12-14-19(26)15-13-18/h3-15H,1-2H3