(3E)-7-methyl-3-[4-phenyl-2-(phenylmethylsulfanyl)-1H-pyrimidin-6-ylidene]chromene-2,4-dione

Systemtic Name: (3E)-7-methyl-3-[4-phenyl-2-(phenylmethylsulfanyl)-1H-pyrimidin-6-ylidene]chromene-2,4-dione Openeye Name: (3E)-3-(2-benzylsulfanyl-4-phenyl-1H-pyrimidin-6-ylidene)-7-methyl-chromane-2,4-dione CAS Name: (3E)-7-methyl-3-[4-phenyl-2-(phenylmethylthio)-1H-pyrimidin-6-ylidene]-3,4-dihydro-2H-1-benzopyran-2,4-dione IUPAC Name: (3E)-3-(2-benzylsulfanyl-4-phenyl-1H-pyrimidin-6-ylidene)-7-methylchromene-2,4-dione Traditional Name: (3E)-3-[2-(benzylthio)-4-phenyl-1H-pyrimidin-6-ylidene]-7-methyl-chroman-2,4-quinone Formula: C27H20N2O3S MolecularWeight: 452.5243

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=O)C(=C3C=C(N=C(N3)SCC4=CC=CC=C4)C5=CC=CC=C5)C(=O)O2

Isomeric SMILES

CC1=CC2=C(C=C1)C(=O)/C(=C\3/C=C(N=C(N3)SCC4=CC=CC=C4)C5=CC=CC=C5)/C(=O)O2

InChI

InChI=1S/C27H20N2O3S/c1-17-12-13-20-23(14-17)32-26(31)24(25(20)30)22-15-21(19-10-6-3-7-11-19)28-27(29-22)33-16-18-8-4-2-5-9-18/h2-15H,16H2,1H3,(H,28,29)/b24-22+