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

Systemtic Name: 2-[[[1,1-bis(oxidanylidene)thiolan-3-yl]-(2-methylpropyl)amino]methyl]benzenecarbonitrile Openeye Name: 2-[[(1,1-dioxothiolan-3-yl)-isobutyl-amino]methyl]benzonitrile CAS Name: 2-[[(1,1-dioxo-3-thiolanyl)-(2-methylpropyl)amino]methyl]benzonitrile IUPAC Name: 2-[[(1,1-dioxothiolan-3-yl)-(2-methylpropyl)amino]methyl]benzonitrile Traditional Name: 2-[[(1,1-diketothiolan-3-yl)-isobutyl-amino]methyl]benzonitrile Formula: C16H22N2O2S MolecularWeight: 306.42308

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(CC1=CC=CC=C1C#N)C2CCS(=O)(=O)C2

Isomeric SMILES

CC(C)CN(CC1=CC=CC=C1C#N)C2CCS(=O)(=O)C2

InChI

InChI=1S/C16H22N2O2S/c1-13(2)10-18(16-7-8-21(19,20)12-16)11-15-6-4-3-5-14(15)9-17/h3-6,13,16H,7-8,10-12H2,1-2H3