4-[3-[2-(4-chlorophenyl)sulfanylethanoyl]-2,5-dimethyl-pyrrol-1-yl]-1,5-dimethyl-2-phenyl-pyrazol-3-one

Systemtic Name: 4-[3-[2-(4-chlorophenyl)sulfanylethanoyl]-2,5-dimethyl-pyrrol-1-yl]-1,5-dimethyl-2-phenyl-pyrazol-3-one Openeye Name: 4-[3-[2-(4-chlorophenyl)sulfanylacetyl]-2,5-dimethyl-pyrrol-1-yl]-1,5-dimethyl-2-phenyl-pyrazol-3-one CAS Name: 4-[3-[2-[(4-chlorophenyl)thio]-1-oxoethyl]-2,5-dimethyl-1-pyrrolyl]-1,5-dimethyl-2-phenyl-3-pyrazolone IUPAC Name: 4-[3-[2-(4-chlorophenyl)sulfanylacetyl]-2,5-dimethylpyrrol-1-yl]-1,5-dimethyl-2-phenylpyrazol-3-one Traditional Name: 4-[3-[2-[(4-chlorophenyl)thio]acetyl]-2,5-dimethyl-pyrrol-1-yl]-1,5-dimethyl-2-phenyl-3-pyrazolin-3-one Formula: C25H24ClN3O2S MolecularWeight: 465.99496

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=C(N(N(C2=O)C3=CC=CC=C3)C)C)C)C(=O)CSC4=CC=C(C=C4)Cl

Isomeric SMILES

CC1=CC(=C(N1C2=C(N(N(C2=O)C3=CC=CC=C3)C)C)C)C(=O)CSC4=CC=C(C=C4)Cl

InChI

InChI=1S/C25H24ClN3O2S/c1-16-14-22(23(30)15-32-21-12-10-19(26)11-13-21)17(2)28(16)24-18(3)27(4)29(25(24)31)20-8-6-5-7-9-20/h5-14H,15H2,1-4H3