N-[[2-(2-chloranylprop-2-enoxy)-7-methylsulfanyl-quinolin-3-yl]methyl]-2-(1-methylpyrazol-4-yl)ethanamine

Systemtic Name: N-[[2-(2-chloranylprop-2-enoxy)-7-methylsulfanyl-quinolin-3-yl]methyl]-2-(1-methylpyrazol-4-yl)ethanamine Openeye Name: N-[[2-(2-chloroallyloxy)-7-methylsulfanyl-3-quinolyl]methyl]-2-(1-methylpyrazol-4-yl)ethanamine CAS Name: N-[[2-(2-chloroprop-2-enoxy)-7-(methylthio)-3-quinolinyl]methyl]-2-(1-methyl-4-pyrazolyl)ethanamine IUPAC Name: N-[[2-(2-chloroprop-2-enoxy)-7-methylsulfanylquinolin-3-yl]methyl]-2-(1-methylpyrazol-4-yl)ethanamine Traditional Name: [2-(2-chloroallyloxy)-7-(methylthio)-3-quinolyl]methyl-[2-(1-methylpyrazol-4-yl)ethyl]amine Formula: C20H23ClN4OS MolecularWeight: 402.94082

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)CCNCC2=C(N=C3C=C(C=CC3=C2)SC)OCC(=C)Cl

Isomeric SMILES

CN1C=C(C=N1)CCNCC2=C(N=C3C=C(C=CC3=C2)SC)OCC(=C)Cl

InChI

InChI=1S/C20H23ClN4OS/c1-14(21)13-26-20-17(11-22-7-6-15-10-23-25(2)12-15)8-16-4-5-18(27-3)9-19(16)24-20/h4-5,8-10,12,22H,1,6-7,11,13H2,2-3H3