1-phenyl-5-[2-[(2-thiophen-2-ylethylamino)methyl]pyrrol-1-yl]pyrazole-4-carboxylic acid

Systemtic Name: 1-phenyl-5-[2-[(2-thiophen-2-ylethylamino)methyl]pyrrol-1-yl]pyrazole-4-carboxylic acid Openeye Name: 1-phenyl-5-[2-[[2-(2-thienyl)ethylamino]methyl]pyrrol-1-yl]pyrazole-4-carboxylic acid CAS Name: 1-phenyl-5-[2-[(2-thiophen-2-ylethylamino)methyl]-1-pyrrolyl]-4-pyrazolecarboxylic acid IUPAC Name: 1-phenyl-5-[2-[(2-thiophen-2-ylethylamino)methyl]pyrrol-1-yl]pyrazole-4-carboxylic acid Traditional Name: 1-phenyl-5-[2-[[2-(2-thienyl)ethylamino]methyl]pyrrol-1-yl]pyrazole-4-carboxylic acid Formula: C21H20N4O2S MolecularWeight: 392.4741

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=C(C=N2)C(=O)O)N3C=CC=C3CNCCC4=CC=CS4

Isomeric SMILES

C1=CC=C(C=C1)N2C(=C(C=N2)C(=O)O)N3C=CC=C3CNCCC4=CC=CS4

InChI

InChI=1S/C21H20N4O2S/c26-21(27)19-15-23-25(16-6-2-1-3-7-16)20(19)24-12-4-8-17(24)14-22-11-10-18-9-5-13-28-18/h1-9,12-13,15,22H,10-11,14H2,(H,26,27)