3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanylmethyl)benzenecarbonitrile

Systemtic Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanylmethyl)benzenecarbonitrile Openeye Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanylmethyl)benzonitrile CAS Name: 3-[(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)methyl]benzonitrile IUPAC Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanylmethyl)benzonitrile Traditional Name: 3-[(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)methyl]benzonitrile Formula: C17H15NO2S MolecularWeight: 297.3715

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)SCC3=CC=CC(=C3)C#N)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)SCC3=CC=CC(=C3)C#N)OC1

InChI

InChI=1S/C17H15NO2S/c18-11-13-3-1-4-14(9-13)12-21-15-5-6-16-17(10-15)20-8-2-7-19-16/h1,3-6,9-10H,2,7-8,12H2