6-(1,3-benzodioxol-5-yl)-2-[2-(4-chlorophenyl)-2-oxidanylidene-ethyl]sulfanyl-3-phenyl-pyrimidin-4-one

Systemtic Name: 6-(1,3-benzodioxol-5-yl)-2-[2-(4-chlorophenyl)-2-oxidanylidene-ethyl]sulfanyl-3-phenyl-pyrimidin-4-one Openeye Name: 6-(1,3-benzodioxol-5-yl)-2-[2-(4-chlorophenyl)-2-oxo-ethyl]sulfanyl-3-phenyl-pyrimidin-4-one CAS Name: 6-(1,3-benzodioxol-5-yl)-2-[[2-(4-chlorophenyl)-2-oxoethyl]thio]-3-phenyl-4-pyrimidinone IUPAC Name: 6-(1,3-benzodioxol-5-yl)-2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-3-phenylpyrimidin-4-one Traditional Name: 6-(1,3-benzodioxol-5-yl)-2-[[2-(4-chlorophenyl)-2-keto-ethyl]thio]-3-phenyl-pyrimidin-4-one Formula: C25H17ClN2O4S MolecularWeight: 476.93148

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C3=CC(=O)N(C(=N3)SCC(=O)C4=CC=C(C=C4)Cl)C5=CC=CC=C5

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C3=CC(=O)N(C(=N3)SCC(=O)C4=CC=C(C=C4)Cl)C5=CC=CC=C5

InChI

InChI=1S/C25H17ClN2O4S/c26-18-9-6-16(7-10-18)21(29)14-33-25-27-20(17-8-11-22-23(12-17)32-15-31-22)13-24(30)28(25)19-4-2-1-3-5-19/h1-13H,14-15H2