2-[2-(4-chlorophenyl)-2-oxidanylidene-ethyl]sulfanyl-5-(4-methoxyphenyl)-3-prop-2-enyl-pyrimidin-4-one

Systemtic Name: 2-[2-(4-chlorophenyl)-2-oxidanylidene-ethyl]sulfanyl-5-(4-methoxyphenyl)-3-prop-2-enyl-pyrimidin-4-one Openeye Name: 3-allyl-2-[2-(4-chlorophenyl)-2-oxo-ethyl]sulfanyl-5-(4-methoxyphenyl)pyrimidin-4-one CAS Name: 2-[[2-(4-chlorophenyl)-2-oxoethyl]thio]-5-(4-methoxyphenyl)-3-prop-2-enyl-4-pyrimidinone IUPAC Name: 2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-5-(4-methoxyphenyl)-3-prop-2-enylpyrimidin-4-one Traditional Name: 3-allyl-2-[[2-(4-chlorophenyl)-2-keto-ethyl]thio]-5-(4-methoxyphenyl)pyrimidin-4-one Formula: C22H19ClN2O3S MolecularWeight: 426.91586

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CN=C(N(C2=O)CC=C)SCC(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

COC1=CC=C(C=C1)C2=CN=C(N(C2=O)CC=C)SCC(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C22H19ClN2O3S/c1-3-12-25-21(27)19(15-6-10-18(28-2)11-7-15)13-24-22(25)29-14-20(26)16-4-8-17(23)9-5-16/h3-11,13H,1,12,14H2,2H3