methyl 2-[methyl-[[5-methylsulfanyl-2-phenyl-4-(2-phenylazanylpyridin-4-yl)pyrazol-3-yl]methyl]amino]ethanoate

Systemtic Name: methyl 2-[methyl-[[5-methylsulfanyl-2-phenyl-4-(2-phenylazanylpyridin-4-yl)pyrazol-3-yl]methyl]amino]ethanoate Openeye Name: methyl 2-[[4-(2-anilino-4-pyridyl)-5-methylsulfanyl-2-phenyl-pyrazol-3-yl]methyl-methyl-amino]acetate CAS Name: 2-[[4-(2-anilino-4-pyridinyl)-5-(methylthio)-2-phenyl-3-pyrazolyl]methyl-methylamino]acetic acid methyl ester IUPAC Name: methyl 2-[[4-(2-anilinopyridin-4-yl)-5-methylsulfanyl-2-phenylpyrazol-3-yl]methyl-methylamino]acetate Traditional Name: 2-[[4-(2-anilino-4-pyridyl)-5-(methylthio)-2-phenyl-pyrazol-3-yl]methyl-methyl-amino]acetic acid methyl ester Formula: C26H27N5O2S MolecularWeight: 473.58988

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=C(C(=NN1C2=CC=CC=C2)SC)C3=CC(=NC=C3)NC4=CC=CC=C4)CC(=O)OC

Isomeric SMILES

CN(CC1=C(C(=NN1C2=CC=CC=C2)SC)C3=CC(=NC=C3)NC4=CC=CC=C4)CC(=O)OC

InChI

InChI=1S/C26H27N5O2S/c1-30(18-24(32)33-2)17-22-25(26(34-3)29-31(22)21-12-8-5-9-13-21)19-14-15-27-23(16-19)28-20-10-6-4-7-11-20/h4-16H,17-18H2,1-3H3,(H,27,28)