N-[[7-chloranyl-5-(2-methylsulfanylpyrimidin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-methyl-5-propyl-pyrazole-3-carboxamide

Systemtic Name: N-[[7-chloranyl-5-(2-methylsulfanylpyrimidin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-methyl-5-propyl-pyrazole-3-carboxamide Openeye Name: N-[[7-chloro-5-(2-methylsulfanylpyrimidin-4-yl)-2,3-dihydrobenzofuran-2-yl]methyl]-2-methyl-5-propyl-pyrazole-3-carboxamide CAS Name: N-[[7-chloro-5-[2-(methylthio)-4-pyrimidinyl]-2,3-dihydrobenzofuran-2-yl]methyl]-2-methyl-5-propyl-3-pyrazolecarboxamide IUPAC Name: N-[[7-chloro-5-(2-methylsulfanylpyrimidin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-methyl-5-propylpyrazole-3-carboxamide Traditional Name: N-[[7-chloro-5-[2-(methylthio)pyrimidin-4-yl]coumaran-2-yl]methyl]-2-methyl-5-propyl-pyrazole-3-carboxamide Formula: C22H24ClN5O2S MolecularWeight: 457.97626

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C(=C1)C(=O)NCC2CC3=C(O2)C(=CC(=C3)C4=NC(=NC=C4)SC)Cl)C

Isomeric SMILES

CCCC1=NN(C(=C1)C(=O)NCC2CC3=C(O2)C(=CC(=C3)C4=NC(=NC=C4)SC)Cl)C

InChI

InChI=1S/C22H24ClN5O2S/c1-4-5-15-11-19(28(2)27-15)21(29)25-12-16-9-14-8-13(10-17(23)20(14)30-16)18-6-7-24-22(26-18)31-3/h6-8,10-11,16H,4-5,9,12H2,1-3H3,(H,25,29)