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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CC(=O)NC1)S(=O)C2=CC=C(C=C2)C#N

Isomeric SMILES

C1CC(CC(=O)NC1)S(=O)C2=CC=C(C=C2)C#N

InChI

InChI=1S/C13H14N2O2S/c14-9-10-3-5-11(6-4-10)18(17)12-2-1-7-15-13(16)8-12/h3-6,12H,1-2,7-8H2,(H,15,16)