2-[2-(9H-thioxanthen-9-yl)ethanoyl]benzenecarbonitrile

Systemtic Name: 2-[2-(9H-thioxanthen-9-yl)ethanoyl]benzenecarbonitrile Openeye Name: 2-[2-(9H-thioxanthen-9-yl)acetyl]benzonitrile CAS Name: 2-[1-oxo-2-(9H-thioxanthen-9-yl)ethyl]benzonitrile IUPAC Name: 2-[2-(9H-thioxanthen-9-yl)acetyl]benzonitrile Traditional Name: 2-[2-(9H-thioxanthen-9-yl)acetyl]benzonitrile Formula: C22H15NOS MolecularWeight: 341.4256

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C#N)C(=O)CC2C3=CC=CC=C3SC4=CC=CC=C24

Isomeric SMILES

C1=CC=C(C(=C1)C#N)C(=O)CC2C3=CC=CC=C3SC4=CC=CC=C24

InChI

InChI=1S/C22H15NOS/c23-14-15-7-1-2-8-16(15)20(24)13-19-17-9-3-5-11-21(17)25-22-12-6-4-10-18(19)22/h1-12,19H,13H2