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

Systemtic Name: (3E)-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)chromane-2,4-dione CAS Name: (3E)-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)chromene-2,4-dione Traditional Name: (3E)-3-[2-(benzylthio)-4-phenyl-1H-pyrimidin-6-ylidene]chroman-2,4-quinone Formula: C26H18N2O3S MolecularWeight: 438.49772

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NC(=CC(=C3C(=O)C4=CC=CC=C4OC3=O)N2)C5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NC(=C/C(=C\3/C(=O)C4=CC=CC=C4OC3=O)/N2)C5=CC=CC=C5

InChI

InChI=1S/C26H18N2O3S/c29-24-19-13-7-8-14-22(19)31-25(30)23(24)21-15-20(18-11-5-2-6-12-18)27-26(28-21)32-16-17-9-3-1-4-10-17/h1-15H,16H2,(H,27,28)/b23-21+