4-[2-[[1,1-bis(oxidanylidene)thiolan-3-yl]-methyl-amino]ethanoyl]benzenecarbonitrile

Systemtic Name: 4-[2-[[1,1-bis(oxidanylidene)thiolan-3-yl]-methyl-amino]ethanoyl]benzenecarbonitrile Openeye Name: 4-[2-[(1,1-dioxothiolan-3-yl)-methyl-amino]acetyl]benzonitrile CAS Name: 4-[2-[(1,1-dioxo-3-thiolanyl)-methylamino]-1-oxoethyl]benzonitrile IUPAC Name: 4-[2-[(1,1-dioxothiolan-3-yl)-methylamino]acetyl]benzonitrile Traditional Name: 4-[2-[(1,1-diketothiolan-3-yl)-methyl-amino]acetyl]benzonitrile Formula: C14H16N2O3S MolecularWeight: 292.35344

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16N2O3S/c1-16(13-6-7-20(18,19)10-13)9-14(17)12-4-2-11(8-15)3-5-12/h2-5,13H,6-7,9-10H2,1H3