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

Systemtic Name: 5-[2-[(3-hydroxyphenyl)amino]pyrimidin-4-yl]-2-methylsulfanyl-4-(3-pyridin-4-ylphenyl)thiophene-3-carbonitrile Openeye Name: 5-[2-(3-hydroxyanilino)pyrimidin-4-yl]-2-methylsulfanyl-4-[3-(4-pyridyl)phenyl]thiophene-3-carbonitrile CAS Name: 5-[2-(3-hydroxyanilino)-4-pyrimidinyl]-2-(methylthio)-4-(3-pyridin-4-ylphenyl)-3-thiophenecarbonitrile IUPAC Name: 5-[2-(3-hydroxyanilino)pyrimidin-4-yl]-2-methylsulfanyl-4-(3-pyridin-4-ylphenyl)thiophene-3-carbonitrile Traditional Name: 5-[2-(3-hydroxyanilino)pyrimidin-4-yl]-2-(methylthio)-4-[3-(4-pyridyl)phenyl]thiophene-3-carbonitrile Formula: C27H19N5OS2 MolecularWeight: 493.60266

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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)C5=CC=NC=C5)C#N

Isomeric SMILES

CSC1=C(C(=C(S1)C2=NC(=NC=C2)NC3=CC(=CC=C3)O)C4=CC=CC(=C4)C5=CC=NC=C5)C#N

InChI

InChI=1S/C27H19N5OS2/c1-34-26-22(16-28)24(19-5-2-4-18(14-19)17-8-11-29-12-9-17)25(35-26)23-10-13-30-27(32-23)31-20-6-3-7-21(33)15-20/h2-15,33H,1H3,(H,30,31,32)