(2E)-5-(5-chloranylthiophen-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-(5-chloranylthiophen-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-(5-chloro-2-thienyl)-2-(5-fluoro-6-oxo-cyclohexa-2,4-dien-1-ylidene)-6-methyl-3-phenethyl-1H-pyrimidin-4-one CAS Name: (2E)-5-(5-chloro-2-thiophenyl)-2-(5-fluoro-6-oxo-1-cyclohexa-2,4-dienylidene)-6-methyl-3-phenethyl-1H-pyrimidin-4-one IUPAC Name: (2E)-5-(5-chlorothiophen-2-yl)-2-(5-fluoro-6-oxocyclohexa-2,4-dien-1-ylidene)-6-methyl-3-phenethyl-1H-pyrimidin-4-one Traditional Name: (2E)-5-(5-chloro-2-thienyl)-2-(5-fluoro-6-keto-cyclohexa-2,4-dien-1-ylidene)-6-methyl-3-phenethyl-1H-pyrimidin-4-one Formula: C23H18ClFN2O2S MolecularWeight: 440.917623

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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=CC=C(S4)Cl

Isomeric SMILES

CC1=C(C(=O)N(/C(=C/2\C=CC=C(C2=O)F)/N1)CCC3=CC=CC=C3)C4=CC=C(S4)Cl

InChI

InChI=1S/C23H18ClFN2O2S/c1-14-20(18-10-11-19(24)30-18)23(29)27(13-12-15-6-3-2-4-7-15)22(26-14)16-8-5-9-17(25)21(16)28/h2-11,26H,12-13H2,1H3/b22-16+