4-(2-phthalazin-1-ylsulfanylethoxy)benzenecarbonitrile

Systemtic Name: 4-(2-phthalazin-1-ylsulfanylethoxy)benzenecarbonitrile Openeye Name: 4-(2-phthalazin-1-ylsulfanylethoxy)benzonitrile CAS Name: 4-[2-(1-phthalazinylthio)ethoxy]benzonitrile IUPAC Name: 4-(2-phthalazin-1-ylsulfanylethoxy)benzonitrile Traditional Name: 4-[2-(phthalazin-1-ylthio)ethoxy]benzonitrile Formula: C17H13N3OS MolecularWeight: 307.36962

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=NN=C2SCCOC3=CC=C(C=C3)C#N

Isomeric SMILES

C1=CC=C2C(=C1)C=NN=C2SCCOC3=CC=C(C=C3)C#N

InChI

InChI=1S/C17H13N3OS/c18-11-13-5-7-15(8-6-13)21-9-10-22-17-16-4-2-1-3-14(16)12-19-20-17/h1-8,12H,9-10H2