3-cyano-4-(furan-2-yl)-2-(2-pyridin-2-ylethylsulfanyl)-6-pyrimidin-2-yl-benzamide

Systemtic Name: 3-cyano-4-(furan-2-yl)-2-(2-pyridin-2-ylethylsulfanyl)-6-pyrimidin-2-yl-benzamide Openeye Name: 3-cyano-4-(2-furyl)-2-[2-(2-pyridyl)ethylsulfanyl]-6-pyrimidin-2-yl-benzamide CAS Name: 3-cyano-4-(2-furanyl)-2-[2-(2-pyridinyl)ethylthio]-6-(2-pyrimidinyl)benzamide IUPAC Name: 3-cyano-4-(furan-2-yl)-2-(2-pyridin-2-ylethylsulfanyl)-6-pyrimidin-2-ylbenzamide Traditional Name: 3-cyano-4-(2-furyl)-2-[2-(2-pyridyl)ethylthio]-6-(2-pyrimidyl)benzamide Formula: C23H17N5O2S MolecularWeight: 427.47838

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)CCSC2=C(C(=CC(=C2C(=O)N)C3=NC=CC=N3)C4=CC=CO4)C#N

Isomeric SMILES

C1=CC=NC(=C1)CCSC2=C(C(=CC(=C2C(=O)N)C3=NC=CC=N3)C4=CC=CO4)C#N

InChI

InChI=1S/C23H17N5O2S/c24-14-18-16(19-6-3-11-30-19)13-17(23-27-9-4-10-28-23)20(22(25)29)21(18)31-12-7-15-5-1-2-8-26-15/h1-6,8-11,13H,7,12H2,(H2,25,29)