5-[(1-methylimidazol-2-yl)sulfanylmethyl]-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]furan-2-carboxamide

Systemtic Name: 5-[(1-methylimidazol-2-yl)sulfanylmethyl]-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]furan-2-carboxamide Openeye Name: 5-[(1-methylimidazol-2-yl)sulfanylmethyl]-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]furan-2-carboxamide CAS Name: 5-[[(1-methyl-2-imidazolyl)thio]methyl]-N-[3-[[1-oxo-2-(1-pyrazolyl)propyl]amino]phenyl]-2-furancarboxamide IUPAC Name: 5-[(1-methylimidazol-2-yl)sulfanylmethyl]-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]furan-2-carboxamide Traditional Name: 5-[[(1-methylimidazol-2-yl)thio]methyl]-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]-2-furamide Formula: C22H22N6O3S MolecularWeight: 450.51348

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC(=C1)NC(=O)C2=CC=C(O2)CSC3=NC=CN3C)N4C=CC=N4

Isomeric SMILES

CC(C(=O)NC1=CC=CC(=C1)NC(=O)C2=CC=C(O2)CSC3=NC=CN3C)N4C=CC=N4

InChI

InChI=1S/C22H22N6O3S/c1-15(28-11-4-9-24-28)20(29)25-16-5-3-6-17(13-16)26-21(30)19-8-7-18(31-19)14-32-22-23-10-12-27(22)2/h3-13,15H,14H2,1-2H3,(H,25,29)(H,26,30)