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

Systemtic Name: 5-[3,5-bis(chloranyl)phenyl]sulfanyl-4-propan-2-yl-1-(pyridin-4-ylmethyl)pyrrole-3-carboxylic acid Openeye Name: 5-(3,5-dichlorophenyl)sulfanyl-4-isopropyl-1-(4-pyridylmethyl)pyrrole-3-carboxylic acid CAS Name: 5-[(3,5-dichlorophenyl)thio]-4-propan-2-yl-1-(pyridin-4-ylmethyl)-3-pyrrolecarboxylic acid IUPAC Name: 5-(3,5-dichlorophenyl)sulfanyl-4-propan-2-yl-1-(pyridin-4-ylmethyl)pyrrole-3-carboxylic acid Traditional Name: 5-[(3,5-dichlorophenyl)thio]-4-isopropyl-1-(4-pyridylmethyl)pyrrole-3-carboxylic acid Formula: C20H18Cl2N2O2S MolecularWeight: 421.34012

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(N(C=C1C(=O)O)CC2=CC=NC=C2)SC3=CC(=CC(=C3)Cl)Cl

Isomeric SMILES

CC(C)C1=C(N(C=C1C(=O)O)CC2=CC=NC=C2)SC3=CC(=CC(=C3)Cl)Cl

InChI

InChI=1S/C20H18Cl2N2O2S/c1-12(2)18-17(20(25)26)11-24(10-13-3-5-23-6-4-13)19(18)27-16-8-14(21)7-15(22)9-16/h3-9,11-12H,10H2,1-2H3,(H,25,26)