N-[4-[[5-cyano-6-(3-methoxyphenyl)-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanylmethyl]phenyl]-3,5-bis(trifluoromethyl)benzamide

Systemtic Name: N-[4-[[5-cyano-6-(3-methoxyphenyl)-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanylmethyl]phenyl]-3,5-bis(trifluoromethyl)benzamide Openeye Name: N-[4-[[5-cyano-6-(3-methoxyphenyl)-4-oxo-1H-pyrimidin-2-yl]sulfanylmethyl]phenyl]-3,5-bis(trifluoromethyl)benzamide CAS Name: N-[4-[[[5-cyano-6-(3-methoxyphenyl)-4-oxo-1H-pyrimidin-2-yl]thio]methyl]phenyl]-3,5-bis(trifluoromethyl)benzamide IUPAC Name: N-[4-[[5-cyano-6-(3-methoxyphenyl)-4-oxo-1H-pyrimidin-2-yl]sulfanylmethyl]phenyl]-3,5-bis(trifluoromethyl)benzamide Traditional Name: N-[4-[[[5-cyano-4-keto-6-(3-methoxyphenyl)-1H-pyrimidin-2-yl]thio]methyl]phenyl]-3,5-bis(trifluoromethyl)benzamide Formula: C28H18F6N4O3S MolecularWeight: 604.522939

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=C(C(=O)N=C(N2)SCC3=CC=C(C=C3)NC(=O)C4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F)C#N

Isomeric SMILES

COC1=CC=CC(=C1)C2=C(C(=O)N=C(N2)SCC3=CC=C(C=C3)NC(=O)C4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F)C#N

InChI

InChI=1S/C28H18F6N4O3S/c1-41-21-4-2-3-16(11-21)23-22(13-35)25(40)38-26(37-23)42-14-15-5-7-20(8-6-15)36-24(39)17-9-18(27(29,30)31)12-19(10-17)28(32,33)34/h2-12H,14H2,1H3,(H,36,39)(H,37,38,40)