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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CCS(=O)(=O)C1)NCC2=CC=C(C=C2)C#N

Isomeric SMILES

CC1(CCS(=O)(=O)C1)NCC2=CC=C(C=C2)C#N

InChI

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