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

Systemtic Name: 5-[3,5-bis(chloranyl)phenyl]sulfanyl-2-methyl-4-propan-2-yl-1-(pyridin-4-ylmethyl)pyrrole-3-carboxylic acid Openeye Name: 5-(3,5-dichlorophenyl)sulfanyl-4-isopropyl-2-methyl-1-(4-pyridylmethyl)pyrrole-3-carboxylic acid CAS Name: 5-[(3,5-dichlorophenyl)thio]-2-methyl-4-propan-2-yl-1-(pyridin-4-ylmethyl)-3-pyrrolecarboxylic acid IUPAC Name: 5-(3,5-dichlorophenyl)sulfanyl-2-methyl-4-propan-2-yl-1-(pyridin-4-ylmethyl)pyrrole-3-carboxylic acid Traditional Name: 5-[(3,5-dichlorophenyl)thio]-4-isopropyl-2-methyl-1-(4-pyridylmethyl)pyrrole-3-carboxylic acid Formula: C21H20Cl2N2O2S MolecularWeight: 435.3667

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20Cl2N2O2S/c1-12(2)18-19(21(26)27)13(3)25(11-14-4-6-24-7-5-14)20(18)28-17-9-15(22)8-16(23)10-17/h4-10,12H,11H2,1-3H3,(H,26,27)