2-([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanylmethyl)benzenecarbonitrile

Systemtic Name: 2-([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanylmethyl)benzenecarbonitrile Openeye Name: 2-(benzofuro[3,2-d]pyrimidin-4-ylsulfanylmethyl)benzonitrile CAS Name: 2-[(4-benzofuro[3,2-d]pyrimidinylthio)methyl]benzonitrile IUPAC Name: 2-([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanylmethyl)benzonitrile Traditional Name: 2-[(benzofuro[3,2-d]pyrimidin-4-ylthio)methyl]benzonitrile Formula: C18H11N3OS MolecularWeight: 317.36444

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CSC2=NC=NC3=C2OC4=CC=CC=C43)C#N

Isomeric SMILES

C1=CC=C(C(=C1)CSC2=NC=NC3=C2OC4=CC=CC=C43)C#N

InChI

InChI=1S/C18H11N3OS/c19-9-12-5-1-2-6-13(12)10-23-18-17-16(20-11-21-18)14-7-3-4-8-15(14)22-17/h1-8,11H,10H2