5-[3,5-bis(chloranyl)phenyl]sulfanyl-2-methyl-4-phenyl-1-(pyridin-4-ylmethyl)pyrrole-3-carboxylic acid

Systemtic Name: 5-[3,5-bis(chloranyl)phenyl]sulfanyl-2-methyl-4-phenyl-1-(pyridin-4-ylmethyl)pyrrole-3-carboxylic acid Openeye Name: 5-(3,5-dichlorophenyl)sulfanyl-2-methyl-4-phenyl-1-(4-pyridylmethyl)pyrrole-3-carboxylic acid CAS Name: 5-[(3,5-dichlorophenyl)thio]-2-methyl-4-phenyl-1-(pyridin-4-ylmethyl)-3-pyrrolecarboxylic acid IUPAC Name: 5-(3,5-dichlorophenyl)sulfanyl-2-methyl-4-phenyl-1-(pyridin-4-ylmethyl)pyrrole-3-carboxylic acid Traditional Name: 5-[(3,5-dichlorophenyl)thio]-2-methyl-4-phenyl-1-(4-pyridylmethyl)pyrrole-3-carboxylic acid Formula: C24H18Cl2N2O2S MolecularWeight: 469.38292

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(N1CC2=CC=NC=C2)SC3=CC(=CC(=C3)Cl)Cl)C4=CC=CC=C4)C(=O)O

Isomeric SMILES

CC1=C(C(=C(N1CC2=CC=NC=C2)SC3=CC(=CC(=C3)Cl)Cl)C4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C24H18Cl2N2O2S/c1-15-21(24(29)30)22(17-5-3-2-4-6-17)23(28(15)14-16-7-9-27-10-8-16)31-20-12-18(25)11-19(26)13-20/h2-13H,14H2,1H3,(H,29,30)