5-butyl-2-methyl-1-(pyridin-2-ylmethyl)-4-thiophen-3-yl-pyrrole-3-carboxamide

Systemtic Name: 5-butyl-2-methyl-1-(pyridin-2-ylmethyl)-4-thiophen-3-yl-pyrrole-3-carboxamide Openeye Name: 5-butyl-2-methyl-1-(2-pyridylmethyl)-4-(3-thienyl)pyrrole-3-carboxamide CAS Name: 5-butyl-2-methyl-1-(2-pyridinylmethyl)-4-(3-thiophenyl)-3-pyrrolecarboxamide IUPAC Name: 5-butyl-2-methyl-1-(pyridin-2-ylmethyl)-4-thiophen-3-ylpyrrole-3-carboxamide Traditional Name: 5-butyl-2-methyl-1-(2-pyridylmethyl)-4-(3-thienyl)pyrrole-3-carboxamide Formula: C20H23N3OS MolecularWeight: 353.48112

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C(=C(N1CC2=CC=CC=N2)C)C(=O)N)C3=CSC=C3

Isomeric SMILES

CCCCC1=C(C(=C(N1CC2=CC=CC=N2)C)C(=O)N)C3=CSC=C3

InChI

InChI=1S/C20H23N3OS/c1-3-4-8-17-19(15-9-11-25-13-15)18(20(21)24)14(2)23(17)12-16-7-5-6-10-22-16/h5-7,9-11,13H,3-4,8,12H2,1-2H3,(H2,21,24)