5-phenyl-2-(phenylmethylsulfanyl)-3,5-dihydrochromeno[2,3-d]pyrimidin-1-ium-4-one

Systemtic Name: 5-phenyl-2-(phenylmethylsulfanyl)-3,5-dihydrochromeno[2,3-d]pyrimidin-1-ium-4-one Openeye Name: 2-benzylsulfanyl-5-phenyl-3,5-dihydrochromeno[2,3-d]pyrimidin-1-ium-4-one CAS Name: 5-phenyl-2-(phenylmethylthio)-3,5-dihydro[1]benzopyrano[2,3-d]pyrimidin-1-ium-4-one IUPAC Name: 2-benzylsulfanyl-5-phenyl-3,5-dihydrochromeno[2,3-d]pyrimidin-1-ium-4-one Traditional Name: 2-(benzylthio)-5-phenyl-3,5-dihydrochromeno[2,3-d]pyrimidin-1-ium-4-one Formula: C24H19N2O2S+ MolecularWeight: 399.48486

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=[NH+]C3=C(C(C4=CC=CC=C4O3)C5=CC=CC=C5)C(=O)N2

Isomeric SMILES

C1=CC=C(C=C1)CSC2=[NH+]C3=C(C(C4=CC=CC=C4O3)C5=CC=CC=C5)C(=O)N2

InChI

InChI=1S/C24H18N2O2S/c27-22-21-20(17-11-5-2-6-12-17)18-13-7-8-14-19(18)28-23(21)26-24(25-22)29-15-16-9-3-1-4-10-16/h1-14,20H,15H2,(H,25,26,27)/p+1