2-[[1,1-bis(oxidanylidene)thiolan-3-yl]-methyl-amino]benzenecarbonitrile

Systemtic Name: 2-[[1,1-bis(oxidanylidene)thiolan-3-yl]-methyl-amino]benzenecarbonitrile Openeye Name: 2-[(1,1-dioxothiolan-3-yl)-methyl-amino]benzonitrile CAS Name: 2-[(1,1-dioxo-3-thiolanyl)-methylamino]benzonitrile IUPAC Name: 2-[(1,1-dioxothiolan-3-yl)-methylamino]benzonitrile Traditional Name: 2-[(1,1-diketothiolan-3-yl)-methyl-amino]benzonitrile Formula: C12H14N2O2S MolecularWeight: 250.31676

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCS(=O)(=O)C1)C2=CC=CC=C2C#N

Isomeric SMILES

CN(C1CCS(=O)(=O)C1)C2=CC=CC=C2C#N

InChI

InChI=1S/C12H14N2O2S/c1-14(11-6-7-17(15,16)9-11)12-5-3-2-4-10(12)8-13/h2-5,11H,6-7,9H2,1H3