4-(2-oxidanyl-3-thieno[3,2-d]pyrimidin-4-ylsulfanyl-propoxy)benzenecarbonitrile

Systemtic Name: 4-(2-oxidanyl-3-thieno[3,2-d]pyrimidin-4-ylsulfanyl-propoxy)benzenecarbonitrile Openeye Name: 4-(2-hydroxy-3-thieno[3,2-d]pyrimidin-4-ylsulfanyl-propoxy)benzonitrile CAS Name: 4-[2-hydroxy-3-(4-thieno[3,2-d]pyrimidinylthio)propoxy]benzonitrile IUPAC Name: 4-(2-hydroxy-3-thieno[3,2-d]pyrimidin-4-ylsulfanylpropoxy)benzonitrile Traditional Name: 4-[2-hydroxy-3-(thieno[3,2-d]pyrimidin-4-ylthio)propoxy]benzonitrile Formula: C16H13N3O2S2 MolecularWeight: 343.42332

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#N)OCC(CSC2=NC=NC3=C2SC=C3)O

Isomeric SMILES

C1=CC(=CC=C1C#N)OCC(CSC2=NC=NC3=C2SC=C3)O

InChI

InChI=1S/C16H13N3O2S2/c17-7-11-1-3-13(4-2-11)21-8-12(20)9-23-16-15-14(5-6-22-15)18-10-19-16/h1-6,10,12,20H,8-9H2