2-[(4-tert-butylphenyl)methylsulfanyl-(prop-2-enylamino)methylidene]propanedinitrile

Systemtic Name: 2-[(4-tert-butylphenyl)methylsulfanyl-(prop-2-enylamino)methylidene]propanedinitrile Openeye Name: 2-[(allylamino)-[(4-tert-butylphenyl)methylsulfanyl]methylene]propanedinitrile CAS Name: 2-[[(4-tert-butylphenyl)methylthio]-(prop-2-enylamino)methylidene]propanedinitrile IUPAC Name: 2-[(4-tert-butylphenyl)methylsulfanyl-(prop-2-enylamino)methylidene]propanedinitrile Traditional Name: 2-[(allylamino)-[(4-tert-butylbenzyl)thio]methylene]malononitrile Formula: C18H21N3S MolecularWeight: 311.44444

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CSC(=C(C#N)C#N)NCC=C

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CSC(=C(C#N)C#N)NCC=C

InChI

InChI=1S/C18H21N3S/c1-5-10-21-17(15(11-19)12-20)22-13-14-6-8-16(9-7-14)18(2,3)4/h5-9,21H,1,10,13H2,2-4H3