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

Systemtic Name: 4-(4-chlorophenyl)-2-ethoxy-5-(2-phenylazanylpyrimidin-4-yl)thiophene-3-carbonitrile Openeye Name: 5-(2-anilinopyrimidin-4-yl)-4-(4-chlorophenyl)-2-ethoxy-thiophene-3-carbonitrile CAS Name: 5-(2-anilino-4-pyrimidinyl)-4-(4-chlorophenyl)-2-ethoxy-3-thiophenecarbonitrile IUPAC Name: 5-(2-anilinopyrimidin-4-yl)-4-(4-chlorophenyl)-2-ethoxythiophene-3-carbonitrile Traditional Name: 5-(2-anilinopyrimidin-4-yl)-4-(4-chlorophenyl)-2-ethoxy-thiophene-3-carbonitrile Formula: C23H17ClN4OS MolecularWeight: 432.92528

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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)Cl)C#N

Isomeric SMILES

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

InChI

InChI=1S/C23H17ClN4OS/c1-2-29-22-18(14-25)20(15-8-10-16(24)11-9-15)21(30-22)19-12-13-26-23(28-19)27-17-6-4-3-5-7-17/h3-13H,2H2,1H3,(H,26,27,28)