4-[[[1,1-bis(oxidanylidene)thiolan-3-yl]-methyl-amino]methyl]benzenecarbonitrile

Systemtic Name: 4-[[[1,1-bis(oxidanylidene)thiolan-3-yl]-methyl-amino]methyl]benzenecarbonitrile Openeye Name: 4-[[(1,1-dioxothiolan-3-yl)-methyl-amino]methyl]benzonitrile CAS Name: 4-[[(1,1-dioxo-3-thiolanyl)-methylamino]methyl]benzonitrile IUPAC Name: 4-[[(1,1-dioxothiolan-3-yl)-methylamino]methyl]benzonitrile Traditional Name: 4-[[(1,1-diketothiolan-3-yl)-methyl-amino]methyl]benzonitrile Formula: C13H16N2O2S MolecularWeight: 264.34334

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=C(C=C1)C#N)C2CCS(=O)(=O)C2

Isomeric SMILES

CN(CC1=CC=C(C=C1)C#N)C2CCS(=O)(=O)C2

InChI

InChI=1S/C13H16N2O2S/c1-15(13-6-7-18(16,17)10-13)9-12-4-2-11(8-14)3-5-12/h2-5,13H,6-7,9-10H2,1H3