2-[(3,3-dimethyl-2-oxidanylidene-butyl)sulfanyl-(prop-2-enylamino)methylidene]propanedinitrile

Systemtic Name: 2-[(3,3-dimethyl-2-oxidanylidene-butyl)sulfanyl-(prop-2-enylamino)methylidene]propanedinitrile Openeye Name: 2-[(allylamino)-(3,3-dimethyl-2-oxo-butyl)sulfanyl-methylene]propanedinitrile CAS Name: 2-[[(3,3-dimethyl-2-oxobutyl)thio]-(prop-2-enylamino)methylidene]propanedinitrile IUPAC Name: 2-[(3,3-dimethyl-2-oxobutyl)sulfanyl-(prop-2-enylamino)methylidene]propanedinitrile Traditional Name: 2-[(allylamino)-[(2-keto-3,3-dimethyl-butyl)thio]methylene]malononitrile Formula: C13H17N3OS MolecularWeight: 263.35858

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)CSC(=C(C#N)C#N)NCC=C

Isomeric SMILES

CC(C)(C)C(=O)CSC(=C(C#N)C#N)NCC=C

InChI

InChI=1S/C13H17N3OS/c1-5-6-16-12(10(7-14)8-15)18-9-11(17)13(2,3)4/h5,16H,1,6,9H2,2-4H3