3-(4-chlorophenyl)-3-oxidanylidene-2-phenylsulfanyl-2-(phenylsulfanylmethyl)propanenitrile

Systemtic Name: 3-(4-chlorophenyl)-3-oxidanylidene-2-phenylsulfanyl-2-(phenylsulfanylmethyl)propanenitrile Openeye Name: 3-(4-chlorophenyl)-3-oxo-2-phenylsulfanyl-2-(phenylsulfanylmethyl)propanenitrile CAS Name: 3-(4-chlorophenyl)-3-oxo-2-(phenylthio)-2-[(phenylthio)methyl]propanenitrile IUPAC Name: 3-(4-chlorophenyl)-3-oxo-2-phenylsulfanyl-2-(phenylsulfanylmethyl)propanenitrile Traditional Name: 3-(4-chlorophenyl)-3-keto-2-(phenylthio)-2-[(phenylthio)methyl]propionitrile Formula: C22H16ClNOS2 MolecularWeight: 409.95154

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SCC(C#N)(C(=O)C2=CC=C(C=C2)Cl)SC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)SCC(C#N)(C(=O)C2=CC=C(C=C2)Cl)SC3=CC=CC=C3

InChI

InChI=1S/C22H16ClNOS2/c23-18-13-11-17(12-14-18)21(25)22(15-24,27-20-9-5-2-6-10-20)16-26-19-7-3-1-4-8-19/h1-14H,16H2