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

Systemtic Name: 6-(1,3-benzodioxol-5-yl)-2-[2-(3-nitrophenyl)-2-oxidanylidene-ethyl]sulfanyl-3-phenyl-pyrimidin-4-one Openeye Name: 6-(1,3-benzodioxol-5-yl)-2-[2-(3-nitrophenyl)-2-oxo-ethyl]sulfanyl-3-phenyl-pyrimidin-4-one CAS Name: 6-(1,3-benzodioxol-5-yl)-2-[[2-(3-nitrophenyl)-2-oxoethyl]thio]-3-phenyl-4-pyrimidinone IUPAC Name: 6-(1,3-benzodioxol-5-yl)-2-[2-(3-nitrophenyl)-2-oxoethyl]sulfanyl-3-phenylpyrimidin-4-one Traditional Name: 6-(1,3-benzodioxol-5-yl)-2-[[2-keto-2-(3-nitrophenyl)ethyl]thio]-3-phenyl-pyrimidin-4-one Formula: C25H17N3O6S MolecularWeight: 487.48398

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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(=CC=C4)[N+](=O)[O-])C5=CC=CC=C5

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C3=CC(=O)N(C(=N3)SCC(=O)C4=CC(=CC=C4)[N+](=O)[O-])C5=CC=CC=C5

InChI

InChI=1S/C25H17N3O6S/c29-21(17-5-4-8-19(11-17)28(31)32)14-35-25-26-20(16-9-10-22-23(12-16)34-15-33-22)13-24(30)27(25)18-6-2-1-3-7-18/h1-13H,14-15H2