N-(2-cyanophenyl)-4-pyrimidin-2-ylsulfanyl-butanamide

Systemtic Name: N-(2-cyanophenyl)-4-pyrimidin-2-ylsulfanyl-butanamide Openeye Name: N-(2-cyanophenyl)-4-pyrimidin-2-ylsulfanyl-butanamide CAS Name: N-(2-cyanophenyl)-4-(2-pyrimidinylthio)butanamide IUPAC Name: N-(2-cyanophenyl)-4-pyrimidin-2-ylsulfanylbutanamide Traditional Name: N-(2-cyanophenyl)-4-(2-pyrimidylthio)butyramide Formula: C15H14N4OS MolecularWeight: 298.36286

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C#N)NC(=O)CCCSC2=NC=CC=N2

Isomeric SMILES

C1=CC=C(C(=C1)C#N)NC(=O)CCCSC2=NC=CC=N2

InChI

InChI=1S/C15H14N4OS/c16-11-12-5-1-2-6-13(12)19-14(20)7-3-10-21-15-17-8-4-9-18-15/h1-2,4-6,8-9H,3,7,10H2,(H,19,20)