5-[(2E)-2-(5-fluoranyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)-6-methyl-4-oxidanylidene-3-phenethyl-1H-pyrimidin-5-yl]thiophene-2-carbonitrile

Systemtic Name: 5-[(2E)-2-(5-fluoranyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)-6-methyl-4-oxidanylidene-3-phenethyl-1H-pyrimidin-5-yl]thiophene-2-carbonitrile Openeye Name: 5-[(2E)-2-(5-fluoro-6-oxo-cyclohexa-2,4-dien-1-ylidene)-6-methyl-4-oxo-3-phenethyl-1H-pyrimidin-5-yl]thiophene-2-carbonitrile CAS Name: 5-[(2E)-2-(5-fluoro-6-oxo-1-cyclohexa-2,4-dienylidene)-6-methyl-4-oxo-3-phenethyl-1H-pyrimidin-5-yl]-2-thiophenecarbonitrile IUPAC Name: 5-[(2E)-2-(5-fluoro-6-oxocyclohexa-2,4-dien-1-ylidene)-6-methyl-4-oxo-3-phenethyl-1H-pyrimidin-5-yl]thiophene-2-carbonitrile Traditional Name: 5-[(2E)-2-(5-fluoro-6-keto-cyclohexa-2,4-dien-1-ylidene)-4-keto-6-methyl-3-phenethyl-1H-pyrimidin-5-yl]thiophene-2-carbonitrile Formula: C24H18FN3O2S MolecularWeight: 431.482023

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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)C#N

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)C#N

InChI

InChI=1S/C24H18FN3O2S/c1-15-21(20-11-10-17(14-26)31-20)24(30)28(13-12-16-6-3-2-4-7-16)23(27-15)18-8-5-9-19(25)22(18)29/h2-11,27H,12-13H2,1H3/b23-18+