4-(2-oxidanylideneazepan-3-yl)sulfinylbenzenecarbonitrile

Systemtic Name: 4-(2-oxidanylideneazepan-3-yl)sulfinylbenzenecarbonitrile Openeye Name: 4-(2-oxoazepan-3-yl)sulfinylbenzonitrile CAS Name: 4-[(2-oxo-3-azepanyl)sulfinyl]benzonitrile IUPAC Name: 4-(2-oxoazepan-3-yl)sulfinylbenzonitrile Traditional Name: 4-(2-ketoazepan-3-yl)sulfinylbenzonitrile Formula: C13H14N2O2S MolecularWeight: 262.32746

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=O)C(C1)S(=O)C2=CC=C(C=C2)C#N

Isomeric SMILES

C1CCNC(=O)C(C1)S(=O)C2=CC=C(C=C2)C#N

InChI

InChI=1S/C13H14N2O2S/c14-9-10-4-6-11(7-5-10)18(17)12-3-1-2-8-15-13(12)16/h4-7,12H,1-3,8H2,(H,15,16)