4-[4-(thiomorpholin-4-ylmethyl)phenyl]carbonylbenzenecarbonitrile

Systemtic Name: 4-[4-(thiomorpholin-4-ylmethyl)phenyl]carbonylbenzenecarbonitrile Openeye Name: 4-[4-(thiomorpholinomethyl)benzoyl]benzonitrile CAS Name: 4-[oxo-[4-(thiomorpholin-4-ylmethyl)phenyl]methyl]benzonitrile IUPAC Name: 4-[4-(thiomorpholin-4-ylmethyl)benzoyl]benzonitrile Traditional Name: 4-[4-(thiomorpholinomethyl)benzoyl]benzonitrile Formula: C19H18N2OS MolecularWeight: 322.42402

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CSCCN1CC2=CC=C(C=C2)C(=O)C3=CC=C(C=C3)C#N

Isomeric SMILES

C1CSCCN1CC2=CC=C(C=C2)C(=O)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C19H18N2OS/c20-13-15-1-5-17(6-2-15)19(22)18-7-3-16(4-8-18)14-21-9-11-23-12-10-21/h1-8H,9-12,14H2