ethyl 3-[2-[2-[2-diethylaminoethyl-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]amino]-2-oxidanylidene-ethyl]-5-oxidanylidene-3-(pyridin-2-ylmethylsulfanyl)-1,2,4-triazin-6-yl]propanoate

Systemtic Name: ethyl 3-[2-[2-[2-diethylaminoethyl-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]amino]-2-oxidanylidene-ethyl]-5-oxidanylidene-3-(pyridin-2-ylmethylsulfanyl)-1,2,4-triazin-6-yl]propanoate Openeye Name: ethyl 3-[2-[2-[2-diethylaminoethyl-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]amino]-2-oxo-ethyl]-5-oxo-3-(2-pyridylmethylsulfanyl)-1,2,4-triazin-6-yl]propanoate CAS Name: 3-[2-[2-[2-diethylaminoethyl-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]amino]-2-oxoethyl]-5-oxo-3-(2-pyridinylmethylthio)-1,2,4-triazin-6-yl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[2-[2-[2-diethylaminoethyl-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]amino]-2-oxoethyl]-5-oxo-3-(pyridin-2-ylmethylsulfanyl)-1,2,4-triazin-6-yl]propanoate Traditional Name: 3-[2-[2-[2-diethylaminoethyl-[4-[4-(trifluoromethyl)phenyl]benzyl]amino]-2-keto-ethyl]-5-keto-3-(2-pyridylmethylthio)-1,2,4-triazin-6-yl]propionic acid ethyl ester Formula: C36H41F3N6O4S MolecularWeight: 710.80875

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCN(CC1=CC=C(C=C1)C2=CC=C(C=C2)C(F)(F)F)C(=O)CN3C(=NC(=O)C(=N3)CCC(=O)OCC)SCC4=CC=CC=N4

Isomeric SMILES

CCN(CC)CCN(CC1=CC=C(C=C1)C2=CC=C(C=C2)C(F)(F)F)C(=O)CN3C(=NC(=O)C(=N3)CCC(=O)OCC)SCC4=CC=CC=N4

InChI

InChI=1S/C36H41F3N6O4S/c1-4-43(5-2)21-22-44(23-26-10-12-27(13-11-26)28-14-16-29(17-15-28)36(37,38)39)32(46)24-45-35(50-25-30-9-7-8-20-40-30)41-34(48)31(42-45)18-19-33(47)49-6-3/h7-17,20H,4-6,18-19,21-25H2,1-3H3