3,3-bis[(2-chlorophenyl)methylsulfanyl]-2-cyano-N-phenethyl-prop-2-enamide

Systemtic Name: 3,3-bis[(2-chlorophenyl)methylsulfanyl]-2-cyano-N-phenethyl-prop-2-enamide Openeye Name: 3,3-bis[(2-chlorophenyl)methylsulfanyl]-2-cyano-N-phenethyl-prop-2-enamide CAS Name: 3,3-bis[(2-chlorophenyl)methylthio]-2-cyano-N-phenethyl-2-propenamide IUPAC Name: 3,3-bis[(2-chlorophenyl)methylsulfanyl]-2-cyano-N-phenethylprop-2-enamide Traditional Name: 3,3-bis[(2-chlorobenzyl)thio]-2-cyano-N-phenethyl-acrylamide Formula: C26H22Cl2N2OS2 MolecularWeight: 513.50168

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC(=O)C(=C(SCC2=CC=CC=C2Cl)SCC3=CC=CC=C3Cl)C#N

Isomeric SMILES

C1=CC=C(C=C1)CCNC(=O)C(=C(SCC2=CC=CC=C2Cl)SCC3=CC=CC=C3Cl)C#N

InChI

InChI=1S/C26H22Cl2N2OS2/c27-23-12-6-4-10-20(23)17-32-26(33-18-21-11-5-7-13-24(21)28)22(16-29)25(31)30-15-14-19-8-2-1-3-9-19/h1-13H,14-15,17-18H2,(H,30,31)