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

Systemtic Name: (6E)-2-fluoranyl-6-(6-methyl-3-phenethyl-5-phenyl-4-sulfanylidene-1H-pyrimidin-2-ylidene)cyclohexa-2,4-dien-1-one Openeye Name: (6E)-2-fluoro-6-(6-methyl-3-phenethyl-5-phenyl-4-thioxo-1H-pyrimidin-2-ylidene)cyclohexa-2,4-dien-1-one CAS Name: (6E)-2-fluoro-6-(6-methyl-3-phenethyl-5-phenyl-4-sulfanylidene-1H-pyrimidin-2-ylidene)-1-cyclohexa-2,4-dienone IUPAC Name: (6E)-2-fluoro-6-(6-methyl-3-phenethyl-5-phenyl-4-sulfanylidene-1H-pyrimidin-2-ylidene)cyclohexa-2,4-dien-1-one Traditional Name: (6E)-2-fluoro-6-(6-methyl-3-phenethyl-5-phenyl-4-thioxo-1H-pyrimidin-2-ylidene)cyclohexa-2,4-dien-1-one Formula: C25H21FN2OS MolecularWeight: 416.510443

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H21FN2OS/c1-17-22(19-11-6-3-7-12-19)25(30)28(16-15-18-9-4-2-5-10-18)24(27-17)20-13-8-14-21(26)23(20)29/h2-14,27H,15-16H2,1H3/b24-20+