3-[3-[[1,1-bis(oxidanylidene)thiolan-3-yl]-methyl-amino]propoxy]benzenecarbonitrile

Systemtic Name: 3-[3-[[1,1-bis(oxidanylidene)thiolan-3-yl]-methyl-amino]propoxy]benzenecarbonitrile Openeye Name: 3-[3-[(1,1-dioxothiolan-3-yl)-methyl-amino]propoxy]benzonitrile CAS Name: 3-[3-[(1,1-dioxo-3-thiolanyl)-methylamino]propoxy]benzonitrile IUPAC Name: 3-[3-[(1,1-dioxothiolan-3-yl)-methylamino]propoxy]benzonitrile Traditional Name: 3-[3-[(1,1-diketothiolan-3-yl)-methyl-amino]propoxy]benzonitrile Formula: C15H20N2O3S MolecularWeight: 308.3959

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCOC1=CC=CC(=C1)C#N)C2CCS(=O)(=O)C2

Isomeric SMILES

CN(CCCOC1=CC=CC(=C1)C#N)C2CCS(=O)(=O)C2

InChI

InChI=1S/C15H20N2O3S/c1-17(14-6-9-21(18,19)12-14)7-3-8-20-15-5-2-4-13(10-15)11-16/h2,4-5,10,14H,3,6-9,12H2,1H3