2-[2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethylsulfanylmethyl]benzenecarbonitrile

Systemtic Name: 2-[2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethylsulfanylmethyl]benzenecarbonitrile Openeye Name: 2-[2-(1,3-dioxoisoindolin-2-yl)ethylsulfanylmethyl]benzonitrile CAS Name: 2-[[2-(1,3-dioxo-2-isoindolyl)ethylthio]methyl]benzonitrile IUPAC Name: 2-[2-(1,3-dioxoisoindol-2-yl)ethylsulfanylmethyl]benzonitrile Traditional Name: 2-[(2-phthalimidoethylthio)methyl]benzonitrile Formula: C18H14N2O2S MolecularWeight: 322.38096

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CSCCN2C(=O)C3=CC=CC=C3C2=O)C#N

Isomeric SMILES

C1=CC=C(C(=C1)CSCCN2C(=O)C3=CC=CC=C3C2=O)C#N

InChI

InChI=1S/C18H14N2O2S/c19-11-13-5-1-2-6-14(13)12-23-10-9-20-17(21)15-7-3-4-8-16(15)18(20)22/h1-8H,9-10,12H2