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

Systemtic Name: 5-[2-[(3-hydroxyphenyl)amino]pyrimidin-4-yl]-2-methylsulfanyl-4-phenyl-thiophene-3-carbonitrile Openeye Name: 5-[2-(3-hydroxyanilino)pyrimidin-4-yl]-2-methylsulfanyl-4-phenyl-thiophene-3-carbonitrile CAS Name: 5-[2-(3-hydroxyanilino)-4-pyrimidinyl]-2-(methylthio)-4-phenyl-3-thiophenecarbonitrile IUPAC Name: 5-[2-(3-hydroxyanilino)pyrimidin-4-yl]-2-methylsulfanyl-4-phenylthiophene-3-carbonitrile Traditional Name: 5-[2-(3-hydroxyanilino)pyrimidin-4-yl]-2-(methylthio)-4-phenyl-thiophene-3-carbonitrile Formula: C22H16N4OS2 MolecularWeight: 416.51864

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C(=C(S1)C2=NC(=NC=C2)NC3=CC(=CC=C3)O)C4=CC=CC=C4)C#N

Isomeric SMILES

CSC1=C(C(=C(S1)C2=NC(=NC=C2)NC3=CC(=CC=C3)O)C4=CC=CC=C4)C#N

InChI

InChI=1S/C22H16N4OS2/c1-28-21-17(13-23)19(14-6-3-2-4-7-14)20(29-21)18-10-11-24-22(26-18)25-15-8-5-9-16(27)12-15/h2-12,27H,1H3,(H,24,25,26)