2-cyano-N-[2-(cyclohexen-1-yl)ethyl]-3,3-bis(phenylmethylsulfanyl)prop-2-enamide

Systemtic Name: 2-cyano-N-[2-(cyclohexen-1-yl)ethyl]-3,3-bis(phenylmethylsulfanyl)prop-2-enamide Openeye Name: 3,3-bis(benzylsulfanyl)-2-cyano-N-[2-(cyclohexen-1-yl)ethyl]prop-2-enamide CAS Name: 2-cyano-N-[2-(1-cyclohexenyl)ethyl]-3,3-bis(phenylmethylthio)-2-propenamide IUPAC Name: 3,3-bis(benzylsulfanyl)-2-cyano-N-[2-(cyclohexen-1-yl)ethyl]prop-2-enamide Traditional Name: 3,3-bis(benzylthio)-2-cyano-N-[2-(cyclohexen-1-yl)ethyl]acrylamide Formula: C26H28N2OS2 MolecularWeight: 448.64332

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=CC1)CCNC(=O)C(=C(SCC2=CC=CC=C2)SCC3=CC=CC=C3)C#N

Isomeric SMILES

C1CCC(=CC1)CCNC(=O)C(=C(SCC2=CC=CC=C2)SCC3=CC=CC=C3)C#N

InChI

InChI=1S/C26H28N2OS2/c27-18-24(25(29)28-17-16-21-10-4-1-5-11-21)26(30-19-22-12-6-2-7-13-22)31-20-23-14-8-3-9-15-23/h2-3,6-10,12-15H,1,4-5,11,16-17,19-20H2,(H,28,29)