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

Systemtic Name: N-[[7-chloranyl-5-(2-methylsulfanylpyrimidin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-5-ethyl-2-methyl-pyrazole-3-carboxamide Openeye Name: N-[[7-chloro-5-(2-methylsulfanylpyrimidin-4-yl)-2,3-dihydrobenzofuran-2-yl]methyl]-5-ethyl-2-methyl-pyrazole-3-carboxamide CAS Name: N-[[7-chloro-5-[2-(methylthio)-4-pyrimidinyl]-2,3-dihydrobenzofuran-2-yl]methyl]-5-ethyl-2-methyl-3-pyrazolecarboxamide IUPAC Name: N-[[7-chloro-5-(2-methylsulfanylpyrimidin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-5-ethyl-2-methylpyrazole-3-carboxamide Traditional Name: N-[[7-chloro-5-[2-(methylthio)pyrimidin-4-yl]coumaran-2-yl]methyl]-5-ethyl-2-methyl-pyrazole-3-carboxamide Formula: C21H22ClN5O2S MolecularWeight: 443.94968

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN(C(=C1)C(=O)NCC2CC3=C(O2)C(=CC(=C3)C4=NC(=NC=C4)SC)Cl)C

Isomeric SMILES

CCC1=NN(C(=C1)C(=O)NCC2CC3=C(O2)C(=CC(=C3)C4=NC(=NC=C4)SC)Cl)C

InChI

InChI=1S/C21H22ClN5O2S/c1-4-14-10-18(27(2)26-14)20(28)24-11-15-8-13-7-12(9-16(22)19(13)29-15)17-5-6-23-21(25-17)30-3/h5-7,9-10,15H,4,8,11H2,1-3H3,(H,24,28)