(2E)-5-(1,3-benzothiazol-2-yl)-2-(5-fluoranyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)-6-methyl-3-phenethyl-1H-pyrimidin-4-one

Systemtic Name: (2E)-5-(1,3-benzothiazol-2-yl)-2-(5-fluoranyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)-6-methyl-3-phenethyl-1H-pyrimidin-4-one Openeye Name: (2E)-5-(1,3-benzothiazol-2-yl)-2-(5-fluoro-6-oxo-cyclohexa-2,4-dien-1-ylidene)-6-methyl-3-phenethyl-1H-pyrimidin-4-one CAS Name: (2E)-5-(1,3-benzothiazol-2-yl)-2-(5-fluoro-6-oxo-1-cyclohexa-2,4-dienylidene)-6-methyl-3-phenethyl-1H-pyrimidin-4-one IUPAC Name: (2E)-5-(1,3-benzothiazol-2-yl)-2-(5-fluoro-6-oxocyclohexa-2,4-dien-1-ylidene)-6-methyl-3-phenethyl-1H-pyrimidin-4-one Traditional Name: (2E)-5-(1,3-benzothiazol-2-yl)-2-(5-fluoro-6-keto-cyclohexa-2,4-dien-1-ylidene)-6-methyl-3-phenethyl-1H-pyrimidin-4-one Formula: C26H20FN3O2S MolecularWeight: 457.519303

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(C(=C2C=CC=C(C2=O)F)N1)CCC3=CC=CC=C3)C4=NC5=CC=CC=C5S4

Isomeric SMILES

CC1=C(C(=O)N(/C(=C/2\C=CC=C(C2=O)F)/N1)CCC3=CC=CC=C3)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C26H20FN3O2S/c1-16-22(25-29-20-12-5-6-13-21(20)33-25)26(32)30(15-14-17-8-3-2-4-9-17)24(28-16)18-10-7-11-19(27)23(18)31/h2-13,28H,14-15H2,1H3/b24-18+