3-(3-oxidanylidene-1-phenylsulfanyl-2-benzofuran-1-yl)propanenitrile

Systemtic Name: 3-(3-oxidanylidene-1-phenylsulfanyl-2-benzofuran-1-yl)propanenitrile Openeye Name: 3-(3-oxo-1-phenylsulfanyl-isobenzofuran-1-yl)propanenitrile CAS Name: 3-[3-oxo-1-(phenylthio)-1-isobenzofuranyl]propanenitrile IUPAC Name: 3-(3-oxo-1-phenylsulfanyl-2-benzofuran-1-yl)propanenitrile Traditional Name: 3-[3-keto-1-(phenylthio)phthalan-1-yl]propionitrile Formula: C17H13NO2S MolecularWeight: 295.35562

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SC2(C3=CC=CC=C3C(=O)O2)CCC#N

Isomeric SMILES

C1=CC=C(C=C1)SC2(C3=CC=CC=C3C(=O)O2)CCC#N

InChI

InChI=1S/C17H13NO2S/c18-12-6-11-17(21-13-7-2-1-3-8-13)15-10-5-4-9-14(15)16(19)20-17/h1-5,7-10H,6,11H2