N-[(4-chloranyl-1-methyl-pyrazol-3-yl)methyl]-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-pyrimidin-2-ylsulfanyl-ethanamide

Systemtic Name: N-[(4-chloranyl-1-methyl-pyrazol-3-yl)methyl]-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-pyrimidin-2-ylsulfanyl-ethanamide Openeye Name: N-[(4-chloro-1-methyl-pyrazol-3-yl)methyl]-N-(2,3-dihydrobenzofuran-5-ylmethyl)-2-pyrimidin-2-ylsulfanyl-acetamide CAS Name: N-[(4-chloro-1-methyl-3-pyrazolyl)methyl]-N-(2,3-dihydrobenzofuran-5-ylmethyl)-2-(2-pyrimidinylthio)acetamide IUPAC Name: N-[(4-chloro-1-methylpyrazol-3-yl)methyl]-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-pyrimidin-2-ylsulfanylacetamide Traditional Name: N-[(4-chloro-1-methyl-pyrazol-3-yl)methyl]-N-(coumaran-5-ylmethyl)-2-(2-pyrimidylthio)acetamide Formula: C20H20ClN5O2S MolecularWeight: 429.9231

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)CN(CC2=CC3=C(C=C2)OCC3)C(=O)CSC4=NC=CC=N4)Cl

Isomeric SMILES

CN1C=C(C(=N1)CN(CC2=CC3=C(C=C2)OCC3)C(=O)CSC4=NC=CC=N4)Cl

InChI

InChI=1S/C20H20ClN5O2S/c1-25-11-16(21)17(24-25)12-26(19(27)13-29-20-22-6-2-7-23-20)10-14-3-4-18-15(9-14)5-8-28-18/h2-4,6-7,9,11H,5,8,10,12-13H2,1H3