N-[(2-chlorophenyl)methyl]-2-cyano-3,3-bis(phenylmethylsulfanyl)prop-2-enamide

Systemtic Name: N-[(2-chlorophenyl)methyl]-2-cyano-3,3-bis(phenylmethylsulfanyl)prop-2-enamide Openeye Name: 3,3-bis(benzylsulfanyl)-N-[(2-chlorophenyl)methyl]-2-cyano-prop-2-enamide CAS Name: N-[(2-chlorophenyl)methyl]-2-cyano-3,3-bis(phenylmethylthio)-2-propenamide IUPAC Name: 3,3-bis(benzylsulfanyl)-N-[(2-chlorophenyl)methyl]-2-cyanoprop-2-enamide Traditional Name: 3,3-bis(benzylthio)-N-(2-chlorobenzyl)-2-cyano-acrylamide Formula: C25H21ClN2OS2 MolecularWeight: 465.03004

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC(=C(C#N)C(=O)NCC2=CC=CC=C2Cl)SCC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CSC(=C(C#N)C(=O)NCC2=CC=CC=C2Cl)SCC3=CC=CC=C3

InChI

InChI=1S/C25H21ClN2OS2/c26-23-14-8-7-13-21(23)16-28-24(29)22(15-27)25(30-17-19-9-3-1-4-10-19)31-18-20-11-5-2-6-12-20/h1-14H,16-18H2,(H,28,29)