4-[[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfanylmethyl]benzenecarbonitrile

Systemtic Name: 4-[[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 4-[[2-(azepan-1-yl)-2-oxo-ethyl]sulfanylmethyl]benzonitrile CAS Name: 4-[[[2-(1-azepanyl)-2-oxoethyl]thio]methyl]benzonitrile IUPAC Name: 4-[[2-(azepan-1-yl)-2-oxoethyl]sulfanylmethyl]benzonitrile Traditional Name: 4-[[[2-(azepan-1-yl)-2-keto-ethyl]thio]methyl]benzonitrile Formula: C16H20N2OS MolecularWeight: 288.4078

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CSCC2=CC=C(C=C2)C#N

Isomeric SMILES

C1CCCN(CC1)C(=O)CSCC2=CC=C(C=C2)C#N

InChI

InChI=1S/C16H20N2OS/c17-11-14-5-7-15(8-6-14)12-20-13-16(19)18-9-3-1-2-4-10-18/h5-8H,1-4,9-10,12-13H2