2-cyano-3,3-bis(3-methylbutylsulfanyl)-N-(phenylmethyl)prop-2-enamide

Systemtic Name: 2-cyano-3,3-bis(3-methylbutylsulfanyl)-N-(phenylmethyl)prop-2-enamide Openeye Name: N-benzyl-2-cyano-3,3-bis(isopentylsulfanyl)prop-2-enamide CAS Name: 2-cyano-3,3-bis(3-methylbutylthio)-N-(phenylmethyl)-2-propenamide IUPAC Name: N-benzyl-2-cyano-3,3-bis(3-methylbutylsulfanyl)prop-2-enamide Traditional Name: N-benzyl-2-cyano-3,3-bis(isoamylthio)acrylamide Formula: C21H30N2OS2 MolecularWeight: 390.6057

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCSC(=C(C#N)C(=O)NCC1=CC=CC=C1)SCCC(C)C

Isomeric SMILES

CC(C)CCSC(=C(C#N)C(=O)NCC1=CC=CC=C1)SCCC(C)C

InChI

InChI=1S/C21H30N2OS2/c1-16(2)10-12-25-21(26-13-11-17(3)4)19(14-22)20(24)23-15-18-8-6-5-7-9-18/h5-9,16-17H,10-13,15H2,1-4H3,(H,23,24)