N-(furan-2-ylmethyl)-N-[[2-(3-methoxyphenyl)-7-methylsulfanyl-quinolin-3-yl]methyl]-2,5-dimethyl-pyrazole-3-carboxamide

Systemtic Name: N-(furan-2-ylmethyl)-N-[[2-(3-methoxyphenyl)-7-methylsulfanyl-quinolin-3-yl]methyl]-2,5-dimethyl-pyrazole-3-carboxamide Openeye Name: N-(2-furylmethyl)-N-[[2-(3-methoxyphenyl)-7-methylsulfanyl-3-quinolyl]methyl]-2,5-dimethyl-pyrazole-3-carboxamide CAS Name: N-(2-furanylmethyl)-N-[[2-(3-methoxyphenyl)-7-(methylthio)-3-quinolinyl]methyl]-2,5-dimethyl-3-pyrazolecarboxamide IUPAC Name: N-(furan-2-ylmethyl)-N-[[2-(3-methoxyphenyl)-7-methylsulfanylquinolin-3-yl]methyl]-2,5-dimethylpyrazole-3-carboxamide Traditional Name: N-(2-furfuryl)-N-[[2-(3-methoxyphenyl)-7-(methylthio)-3-quinolyl]methyl]-2,5-dimethyl-pyrazole-3-carboxamide Formula: C29H28N4O3S MolecularWeight: 512.62262

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)C(=O)N(CC2=CC=CO2)CC3=C(N=C4C=C(C=CC4=C3)SC)C5=CC(=CC=C5)OC)C

Isomeric SMILES

CC1=NN(C(=C1)C(=O)N(CC2=CC=CO2)CC3=C(N=C4C=C(C=CC4=C3)SC)C5=CC(=CC=C5)OC)C

InChI

InChI=1S/C29H28N4O3S/c1-19-13-27(32(2)31-19)29(34)33(18-24-9-6-12-36-24)17-22-14-20-10-11-25(37-4)16-26(20)30-28(22)21-7-5-8-23(15-21)35-3/h5-16H,17-18H2,1-4H3