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

Systemtic Name: (6E)-2-fluoranyl-6-[6-methyl-5-(2-methylpropyl)-3-phenethyl-4-sulfanylidene-1H-pyrimidin-2-ylidene]cyclohexa-2,4-dien-1-one Openeye Name: (6E)-2-fluoro-6-(5-isobutyl-6-methyl-3-phenethyl-4-thioxo-1H-pyrimidin-2-ylidene)cyclohexa-2,4-dien-1-one CAS Name: (6E)-2-fluoro-6-[6-methyl-5-(2-methylpropyl)-3-phenethyl-4-sulfanylidene-1H-pyrimidin-2-ylidene]-1-cyclohexa-2,4-dienone IUPAC Name: (6E)-2-fluoro-6-[6-methyl-5-(2-methylpropyl)-3-phenethyl-4-sulfanylidene-1H-pyrimidin-2-ylidene]cyclohexa-2,4-dien-1-one Traditional Name: (6E)-2-fluoro-6-(5-isobutyl-6-methyl-3-phenethyl-4-thioxo-1H-pyrimidin-2-ylidene)cyclohexa-2,4-dien-1-one Formula: C23H25FN2OS MolecularWeight: 396.520803

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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)CC(C)C

Isomeric SMILES

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

InChI

InChI=1S/C23H25FN2OS/c1-15(2)14-19-16(3)25-22(18-10-7-11-20(24)21(18)27)26(23(19)28)13-12-17-8-5-4-6-9-17/h4-11,15,25H,12-14H2,1-3H3/b22-18+