3-([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)propanenitrile

Systemtic Name: 3-([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)propanenitrile Openeye Name: 3-(benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)propanenitrile CAS Name: 3-(4-benzofuro[3,2-d]pyrimidinylthio)propanenitrile IUPAC Name: 3-([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)propanenitrile Traditional Name: 3-(benzofuro[3,2-d]pyrimidin-4-ylthio)propionitrile Formula: C13H9N3OS MolecularWeight: 255.29506

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C3=C(O2)C(=NC=N3)SCCC#N

Isomeric SMILES

C1=CC=C2C(=C1)C3=C(O2)C(=NC=N3)SCCC#N

InChI

InChI=1S/C13H9N3OS/c14-6-3-7-18-13-12-11(15-8-16-13)9-4-1-2-5-10(9)17-12/h1-2,4-5,8H,3,7H2