4-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)ethoxy]benzenecarbonitrile

Systemtic Name: 4-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)ethoxy]benzenecarbonitrile Openeye Name: 4-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)ethoxy]benzonitrile CAS Name: 4-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)ethoxy]benzonitrile IUPAC Name: 4-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)ethoxy]benzonitrile Traditional Name: 4-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)ethoxy]benzonitrile Formula: C18H17NO3S MolecularWeight: 327.39748

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)SCCOC3=CC=C(C=C3)C#N)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)SCCOC3=CC=C(C=C3)C#N)OC1

InChI

InChI=1S/C18H17NO3S/c19-13-14-2-4-15(5-3-14)20-10-11-23-16-6-7-17-18(12-16)22-9-1-8-21-17/h2-7,12H,1,8-11H2