2-ethoxy-4-(4-methylphenyl)-5-(2-phenylazanylpyrimidin-4-yl)thiophene-3-carbonitrile

Systemtic Name: 2-ethoxy-4-(4-methylphenyl)-5-(2-phenylazanylpyrimidin-4-yl)thiophene-3-carbonitrile Openeye Name: 5-(2-anilinopyrimidin-4-yl)-2-ethoxy-4-(p-tolyl)thiophene-3-carbonitrile CAS Name: 5-(2-anilino-4-pyrimidinyl)-2-ethoxy-4-(4-methylphenyl)-3-thiophenecarbonitrile IUPAC Name: 5-(2-anilinopyrimidin-4-yl)-2-ethoxy-4-(4-methylphenyl)thiophene-3-carbonitrile Traditional Name: 5-(2-anilinopyrimidin-4-yl)-2-ethoxy-4-(p-tolyl)thiophene-3-carbonitrile Formula: C24H20N4OS MolecularWeight: 412.5068

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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)C#N

Isomeric SMILES

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

InChI

InChI=1S/C24H20N4OS/c1-3-29-23-19(15-25)21(17-11-9-16(2)10-12-17)22(30-23)20-13-14-26-24(28-20)27-18-7-5-4-6-8-18/h4-14H,3H2,1-2H3,(H,26,27,28)