1-butyl-5-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-(2-ethylhexyl)-2-methyl-pyrrole-3-carboxamide

Systemtic Name: 1-butyl-5-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-(2-ethylhexyl)-2-methyl-pyrrole-3-carboxamide Openeye Name: 1-butyl-5-[2-(2-chlorophenyl)thiazol-4-yl]-N-(2-ethylhexyl)-2-methyl-pyrrole-3-carboxamide CAS Name: 1-butyl-5-[2-(2-chlorophenyl)-4-thiazolyl]-N-(2-ethylhexyl)-2-methyl-3-pyrrolecarboxamide IUPAC Name: 1-butyl-5-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-(2-ethylhexyl)-2-methylpyrrole-3-carboxamide Traditional Name: 1-butyl-5-[2-(2-chlorophenyl)thiazol-4-yl]-N-(2-ethylhexyl)-2-methyl-pyrrole-3-carboxamide Formula: C27H36ClN3OS MolecularWeight: 486.11224

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CNC(=O)C1=C(N(C(=C1)C2=CSC(=N2)C3=CC=CC=C3Cl)CCCC)C

Isomeric SMILES

CCCCC(CC)CNC(=O)C1=C(N(C(=C1)C2=CSC(=N2)C3=CC=CC=C3Cl)CCCC)C

InChI

InChI=1S/C27H36ClN3OS/c1-5-8-12-20(7-3)17-29-26(32)22-16-25(31(19(22)4)15-9-6-2)24-18-33-27(30-24)21-13-10-11-14-23(21)28/h10-11,13-14,16,18,20H,5-9,12,15,17H2,1-4H3,(H,29,32)