tert-butyl 5-(3-bromanyl-5-chloranyl-phenyl)sulfanyl-2-methyl-4-propan-2-yl-1-(pyridin-4-ylmethyl)pyrrole-3-carboxylate

Systemtic Name: tert-butyl 5-(3-bromanyl-5-chloranyl-phenyl)sulfanyl-2-methyl-4-propan-2-yl-1-(pyridin-4-ylmethyl)pyrrole-3-carboxylate Openeye Name: tert-butyl 5-(3-bromo-5-chloro-phenyl)sulfanyl-4-isopropyl-2-methyl-1-(4-pyridylmethyl)pyrrole-3-carboxylate CAS Name: 5-[(3-bromo-5-chlorophenyl)thio]-2-methyl-4-propan-2-yl-1-(pyridin-4-ylmethyl)-3-pyrrolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 5-(3-bromo-5-chlorophenyl)sulfanyl-2-methyl-4-propan-2-yl-1-(pyridin-4-ylmethyl)pyrrole-3-carboxylate Traditional Name: 5-[(3-bromo-5-chloro-phenyl)thio]-4-isopropyl-2-methyl-1-(4-pyridylmethyl)pyrrole-3-carboxylic acid tert-butyl ester Formula: C25H28BrClN2O2S MolecularWeight: 535.92402

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H28BrClN2O2S/c1-15(2)21-22(24(30)31-25(4,5)6)16(3)29(14-17-7-9-28-10-8-17)23(21)32-20-12-18(26)11-19(27)13-20/h7-13,15H,14H2,1-6H3