N-[5-cyano-4-(furan-2-yl)-6-(2-pyridin-2-ylethylsulfanyl)pyrimidin-2-yl]-N-(phenylcarbonyl)benzamide

Systemtic Name: N-[5-cyano-4-(furan-2-yl)-6-(2-pyridin-2-ylethylsulfanyl)pyrimidin-2-yl]-N-(phenylcarbonyl)benzamide Openeye Name: N-benzoyl-N-[5-cyano-4-(2-furyl)-6-[2-(2-pyridyl)ethylsulfanyl]pyrimidin-2-yl]benzamide CAS Name: N-benzoyl-N-[5-cyano-4-(2-furanyl)-6-[2-(2-pyridinyl)ethylthio]-2-pyrimidinyl]benzamide IUPAC Name: N-benzoyl-N-[5-cyano-4-(furan-2-yl)-6-(2-pyridin-2-ylethylsulfanyl)pyrimidin-2-yl]benzamide Traditional Name: N-benzoyl-N-[5-cyano-4-(2-furyl)-6-[2-(2-pyridyl)ethylthio]pyrimidin-2-yl]benzamide Formula: C30H21N5O3S MolecularWeight: 531.58444

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)N(C2=NC(=C(C(=N2)SCCC3=CC=CC=N3)C#N)C4=CC=CO4)C(=O)C5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)C(=O)N(C2=NC(=C(C(=N2)SCCC3=CC=CC=N3)C#N)C4=CC=CO4)C(=O)C5=CC=CC=C5

InChI

InChI=1S/C30H21N5O3S/c31-20-24-26(25-15-9-18-38-25)33-30(34-27(24)39-19-16-23-14-7-8-17-32-23)35(28(36)21-10-3-1-4-11-21)29(37)22-12-5-2-6-13-22/h1-15,17-18H,16,19H2