2-morpholin-4-ylcarbonyl-3,3-bis(phenylmethylsulfanyl)prop-2-enenitrile

Systemtic Name: 2-morpholin-4-ylcarbonyl-3,3-bis(phenylmethylsulfanyl)prop-2-enenitrile Openeye Name: 3,3-bis(benzylsulfanyl)-2-(morpholine-4-carbonyl)prop-2-enenitrile CAS Name: 2-[4-morpholinyl(oxo)methyl]-3,3-bis(phenylmethylthio)-2-propenenitrile IUPAC Name: 3,3-bis(benzylsulfanyl)-2-(morpholine-4-carbonyl)prop-2-enenitrile Traditional Name: 3,3-bis(benzylthio)-2-(morpholine-4-carbonyl)acrylonitrile Formula: C22H22N2O2S2 MolecularWeight: 410.55228

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C(=O)C(=C(SCC2=CC=CC=C2)SCC3=CC=CC=C3)C#N

Isomeric SMILES

C1COCCN1C(=O)C(=C(SCC2=CC=CC=C2)SCC3=CC=CC=C3)C#N

InChI

InChI=1S/C22H22N2O2S2/c23-15-20(21(25)24-11-13-26-14-12-24)22(27-16-18-7-3-1-4-8-18)28-17-19-9-5-2-6-10-19/h1-10H,11-14,16-17H2