3-[1-[[1,1-bis(oxidanylidene)thian-4-yl]amino]ethyl]benzenecarbonitrile

Systemtic Name: 3-[1-[[1,1-bis(oxidanylidene)thian-4-yl]amino]ethyl]benzenecarbonitrile Openeye Name: 3-[1-[(1,1-dioxothian-4-yl)amino]ethyl]benzonitrile CAS Name: 3-[1-[(1,1-dioxo-4-thianyl)amino]ethyl]benzonitrile IUPAC Name: 3-[1-[(1,1-dioxothian-4-yl)amino]ethyl]benzonitrile Traditional Name: 3-[1-[(1,1-diketothian-4-yl)amino]ethyl]benzonitrile Formula: C14H18N2O2S MolecularWeight: 278.36992

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC(=C1)C#N)NC2CCS(=O)(=O)CC2

Isomeric SMILES

CC(C1=CC=CC(=C1)C#N)NC2CCS(=O)(=O)CC2

InChI

InChI=1S/C14H18N2O2S/c1-11(13-4-2-3-12(9-13)10-15)16-14-5-7-19(17,18)8-6-14/h2-4,9,11,14,16H,5-8H2,1H3