2-[(4-hydroxyphenyl)methylsulfanyl]-4-phenyl-5-(2-phenylazanylpyrimidin-4-yl)thiophene-3-carbonitrile

Systemtic Name: 2-[(4-hydroxyphenyl)methylsulfanyl]-4-phenyl-5-(2-phenylazanylpyrimidin-4-yl)thiophene-3-carbonitrile Openeye Name: 5-(2-anilinopyrimidin-4-yl)-2-[(4-hydroxyphenyl)methylsulfanyl]-4-phenyl-thiophene-3-carbonitrile CAS Name: 5-(2-anilino-4-pyrimidinyl)-2-[(4-hydroxyphenyl)methylthio]-4-phenyl-3-thiophenecarbonitrile IUPAC Name: 5-(2-anilinopyrimidin-4-yl)-2-[(4-hydroxyphenyl)methylsulfanyl]-4-phenylthiophene-3-carbonitrile Traditional Name: 5-(2-anilinopyrimidin-4-yl)-2-[(4-hydroxybenzyl)thio]-4-phenyl-thiophene-3-carbonitrile Formula: C28H20N4OS2 MolecularWeight: 492.6146

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(SC(=C2C#N)SCC3=CC=C(C=C3)O)C4=NC(=NC=C4)NC5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)C2=C(SC(=C2C#N)SCC3=CC=C(C=C3)O)C4=NC(=NC=C4)NC5=CC=CC=C5

InChI

InChI=1S/C28H20N4OS2/c29-17-23-25(20-7-3-1-4-8-20)26(35-27(23)34-18-19-11-13-22(33)14-12-19)24-15-16-30-28(32-24)31-21-9-5-2-6-10-21/h1-16,33H,18H2,(H,30,31,32)