2-ethoxy-5-(2-phenylazanylpyrimidin-4-yl)-4-[4-(trifluoromethyl)phenyl]thiophene-3-carbonitrile

Systemtic Name: 2-ethoxy-5-(2-phenylazanylpyrimidin-4-yl)-4-[4-(trifluoromethyl)phenyl]thiophene-3-carbonitrile Openeye Name: 5-(2-anilinopyrimidin-4-yl)-2-ethoxy-4-[4-(trifluoromethyl)phenyl]thiophene-3-carbonitrile CAS Name: 5-(2-anilino-4-pyrimidinyl)-2-ethoxy-4-[4-(trifluoromethyl)phenyl]-3-thiophenecarbonitrile IUPAC Name: 5-(2-anilinopyrimidin-4-yl)-2-ethoxy-4-[4-(trifluoromethyl)phenyl]thiophene-3-carbonitrile Traditional Name: 5-(2-anilinopyrimidin-4-yl)-2-ethoxy-4-[4-(trifluoromethyl)phenyl]thiophene-3-carbonitrile Formula: C24H17F3N4OS MolecularWeight: 466.47819

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=C(S1)C2=NC(=NC=C2)NC3=CC=CC=C3)C4=CC=C(C=C4)C(F)(F)F)C#N

Isomeric SMILES

CCOC1=C(C(=C(S1)C2=NC(=NC=C2)NC3=CC=CC=C3)C4=CC=C(C=C4)C(F)(F)F)C#N

InChI

InChI=1S/C24H17F3N4OS/c1-2-32-22-18(14-28)20(15-8-10-16(11-9-15)24(25,26)27)21(33-22)19-12-13-29-23(31-19)30-17-6-4-3-5-7-17/h3-13H,2H2,1H3,(H,29,30,31)