5-phenylsulfanyl-4-propan-2-yl-1-(pyridin-4-ylmethyl)pyrrole-3-carboxylic acid

Systemtic Name: 5-phenylsulfanyl-4-propan-2-yl-1-(pyridin-4-ylmethyl)pyrrole-3-carboxylic acid Openeye Name: 4-isopropyl-5-phenylsulfanyl-1-(4-pyridylmethyl)pyrrole-3-carboxylic acid CAS Name: 5-(phenylthio)-4-propan-2-yl-1-(pyridin-4-ylmethyl)-3-pyrrolecarboxylic acid IUPAC Name: 5-phenylsulfanyl-4-propan-2-yl-1-(pyridin-4-ylmethyl)pyrrole-3-carboxylic acid Traditional Name: 4-isopropyl-5-(phenylthio)-1-(4-pyridylmethyl)pyrrole-3-carboxylic acid Formula: C20H20N2O2S MolecularWeight: 352.45

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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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N2O2S/c1-14(2)18-17(20(23)24)13-22(12-15-8-10-21-11-9-15)19(18)25-16-6-4-3-5-7-16/h3-11,13-14H,12H2,1-2H3,(H,23,24)