3-(4-chlorophenyl)-2-(1,3-dithiolan-2-ylidene)-5-oxidanylidene-5-phenyl-pentanenitrile

Systemtic Name: 3-(4-chlorophenyl)-2-(1,3-dithiolan-2-ylidene)-5-oxidanylidene-5-phenyl-pentanenitrile Openeye Name: 3-(4-chlorophenyl)-2-(1,3-dithiolan-2-ylidene)-5-oxo-5-phenyl-pentanenitrile CAS Name: 3-(4-chlorophenyl)-2-(1,3-dithiolan-2-ylidene)-5-oxo-5-phenylpentanenitrile IUPAC Name: 3-(4-chlorophenyl)-2-(1,3-dithiolan-2-ylidene)-5-oxo-5-phenylpentanenitrile Traditional Name: 3-(4-chlorophenyl)-2-(1,3-dithiolan-2-ylidene)-5-keto-5-phenyl-valeronitrile Formula: C20H16ClNOS2 MolecularWeight: 385.93014

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC(=C(C#N)C(CC(=O)C2=CC=CC=C2)C3=CC=C(C=C3)Cl)S1

Isomeric SMILES

C1CSC(=C(C#N)C(CC(=O)C2=CC=CC=C2)C3=CC=C(C=C3)Cl)S1

InChI

InChI=1S/C20H16ClNOS2/c21-16-8-6-14(7-9-16)17(18(13-22)20-24-10-11-25-20)12-19(23)15-4-2-1-3-5-15/h1-9,17H,10-12H2