2-[2-[(5-chloranyl-2-phenoxy-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-6-(4-methoxyphenyl)pyrimidin-4-olate

Systemtic Name: 2-[2-[(5-chloranyl-2-phenoxy-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-6-(4-methoxyphenyl)pyrimidin-4-olate Openeye Name: 2-[2-(5-chloro-2-phenoxy-anilino)-2-oxo-ethyl]sulfanyl-6-(4-methoxyphenyl)pyrimidin-4-olate CAS Name: 2-[[2-(5-chloro-2-phenoxyanilino)-2-oxoethyl]thio]-6-(4-methoxyphenyl)-4-pyrimidinolate IUPAC Name: 2-[2-(5-chloro-2-phenoxyanilino)-2-oxoethyl]sulfanyl-6-(4-methoxyphenyl)pyrimidin-4-olate Traditional Name: 2-[[2-(5-chloro-2-phenoxy-anilino)-2-keto-ethyl]thio]-6-(4-methoxyphenyl)pyrimidin-4-olate Formula: C25H19ClN3O4S- MolecularWeight: 492.95406

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CC(=NC(=N2)SCC(=O)NC3=C(C=CC(=C3)Cl)OC4=CC=CC=C4)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)C2=CC(=NC(=N2)SCC(=O)NC3=C(C=CC(=C3)Cl)OC4=CC=CC=C4)[O-]

InChI

InChI=1S/C25H20ClN3O4S/c1-32-18-10-7-16(8-11-18)20-14-23(30)29-25(28-20)34-15-24(31)27-21-13-17(26)9-12-22(21)33-19-5-3-2-4-6-19/h2-14H,15H2,1H3,(H,27,31)(H,28,29,30)/p-1