2-[2-(thiomorpholin-4-ylmethyl)phenyl]carbonylbenzenecarbonitrile

Systemtic Name: 2-[2-(thiomorpholin-4-ylmethyl)phenyl]carbonylbenzenecarbonitrile Openeye Name: 2-[2-(thiomorpholinomethyl)benzoyl]benzonitrile CAS Name: 2-[oxo-[2-(thiomorpholin-4-ylmethyl)phenyl]methyl]benzonitrile IUPAC Name: 2-[2-(thiomorpholin-4-ylmethyl)benzoyl]benzonitrile Traditional Name: 2-[2-(thiomorpholinomethyl)benzoyl]benzonitrile Formula: C19H18N2OS MolecularWeight: 322.42402

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Descriptors Computed from Structure

Canonical SMILES:

C1CSCCN1CC2=CC=CC=C2C(=O)C3=CC=CC=C3C#N

Isomeric SMILES

C1CSCCN1CC2=CC=CC=C2C(=O)C3=CC=CC=C3C#N

InChI

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