(E)-2-(5,6-dimethyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl)-3-[3-(trifluoromethyl)phenyl]prop-2-enenitrile

Systemtic Name: (E)-2-(5,6-dimethyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl)-3-[3-(trifluoromethyl)phenyl]prop-2-enenitrile Openeye Name: (E)-2-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)-3-[3-(trifluoromethyl)phenyl]prop-2-enenitrile CAS Name: (E)-2-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)-3-[3-(trifluoromethyl)phenyl]-2-propenenitrile IUPAC Name: (E)-2-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)-3-[3-(trifluoromethyl)phenyl]prop-2-enenitrile Traditional Name: (E)-2-(4-keto-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-2-yl)-3-[3-(trifluoromethyl)phenyl]acrylonitrile Formula: C18H12F3N3OS MolecularWeight: 375.36759

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)C(=CC3=CC(=CC=C3)C(F)(F)F)C#N)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)/C(=C/C3=CC(=CC=C3)C(F)(F)F)/C#N)C

InChI

InChI=1S/C18H12F3N3OS/c1-9-10(2)26-17-14(9)16(25)23-15(24-17)12(8-22)6-11-4-3-5-13(7-11)18(19,20)21/h3-7H,1-2H3,(H,23,24,25)/b12-6+