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

Systemtic Name: 3-chloranyl-N-[3-[[5-cyano-6-(3-methoxyphenyl)-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanylmethyl]phenyl]benzamide Openeye Name: 3-chloro-N-[3-[[5-cyano-6-(3-methoxyphenyl)-4-oxo-1H-pyrimidin-2-yl]sulfanylmethyl]phenyl]benzamide CAS Name: 3-chloro-N-[3-[[[5-cyano-6-(3-methoxyphenyl)-4-oxo-1H-pyrimidin-2-yl]thio]methyl]phenyl]benzamide IUPAC Name: 3-chloro-N-[3-[[5-cyano-6-(3-methoxyphenyl)-4-oxo-1H-pyrimidin-2-yl]sulfanylmethyl]phenyl]benzamide Traditional Name: 3-chloro-N-[3-[[[5-cyano-4-keto-6-(3-methoxyphenyl)-1H-pyrimidin-2-yl]thio]methyl]phenyl]benzamide Formula: C26H19ClN4O3S MolecularWeight: 502.97206

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H19ClN4O3S/c1-34-21-10-4-6-17(13-21)23-22(14-28)25(33)31-26(30-23)35-15-16-5-2-9-20(11-16)29-24(32)18-7-3-8-19(27)12-18/h2-13H,15H2,1H3,(H,29,32)(H,30,31,33)