2-[hexadecylsulfanyl-(prop-2-enylamino)methylidene]propanedinitrile

Systemtic Name: 2-[hexadecylsulfanyl-(prop-2-enylamino)methylidene]propanedinitrile Openeye Name: 2-[(allylamino)-hexadecylsulfanyl-methylene]propanedinitrile CAS Name: 2-[(hexadecylthio)-(prop-2-enylamino)methylidene]propanedinitrile IUPAC Name: 2-[hexadecylsulfanyl-(prop-2-enylamino)methylidene]propanedinitrile Traditional Name: 2-[(allylamino)-(cetylthio)methylene]malononitrile Formula: C23H39N3S MolecularWeight: 389.64086

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCSC(=C(C#N)C#N)NCC=C

Isomeric SMILES

CCCCCCCCCCCCCCCCSC(=C(C#N)C#N)NCC=C

InChI

InChI=1S/C23H39N3S/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-19-27-23(26-18-4-2)22(20-24)21-25/h4,26H,2-3,5-19H2,1H3