3-methoxy-6-[2-phenyl-5-(1,3-thiazol-4-yl)-6-(trifluoromethyl)-1H-pyrimidin-4-ylidene]cyclohexa-2,4-dien-1-one

Systemtic Name: 3-methoxy-6-[2-phenyl-5-(1,3-thiazol-4-yl)-6-(trifluoromethyl)-1H-pyrimidin-4-ylidene]cyclohexa-2,4-dien-1-one Openeye Name: 3-methoxy-6-[2-phenyl-5-thiazol-4-yl-6-(trifluoromethyl)-1H-pyrimidin-4-ylidene]cyclohexa-2,4-dien-1-one CAS Name: 3-methoxy-6-[2-phenyl-5-(4-thiazolyl)-6-(trifluoromethyl)-1H-pyrimidin-4-ylidene]-1-cyclohexa-2,4-dienone IUPAC Name: 3-methoxy-6-[2-phenyl-5-(1,3-thiazol-4-yl)-6-(trifluoromethyl)-1H-pyrimidin-4-ylidene]cyclohexa-2,4-dien-1-one Traditional Name: 3-methoxy-6-[2-phenyl-5-thiazol-4-yl-6-(trifluoromethyl)-1H-pyrimidin-4-ylidene]cyclohexa-2,4-dien-1-one Formula: C21H14F3N3O2S MolecularWeight: 429.41497

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=O)C(=C2C(=C(NC(=N2)C3=CC=CC=C3)C(F)(F)F)C4=CSC=N4)C=C1

Isomeric SMILES

COC1=CC(=O)C(=C2C(=C(NC(=N2)C3=CC=CC=C3)C(F)(F)F)C4=CSC=N4)C=C1

InChI

InChI=1S/C21H14F3N3O2S/c1-29-13-7-8-14(16(28)9-13)18-17(15-10-30-11-25-15)19(21(22,23)24)27-20(26-18)12-5-3-2-4-6-12/h2-11H,1H3,(H,26,27)