3-[3-(thiomorpholin-4-ylmethyl)phenyl]carbonylbenzenecarbonitrile

Systemtic Name: 3-[3-(thiomorpholin-4-ylmethyl)phenyl]carbonylbenzenecarbonitrile Openeye Name: 3-[3-(thiomorpholinomethyl)benzoyl]benzonitrile CAS Name: 3-[oxo-[3-(thiomorpholin-4-ylmethyl)phenyl]methyl]benzonitrile IUPAC Name: 3-[3-(thiomorpholin-4-ylmethyl)benzoyl]benzonitrile Traditional Name: 3-[3-(thiomorpholinomethyl)benzoyl]benzonitrile Formula: C19H18N2OS MolecularWeight: 322.42402

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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