(E)-3-azanyl-2-[2-(2,4,6-trimethylphenyl)sulfanylethanoyl]but-2-enenitrile

Systemtic Name: (E)-3-azanyl-2-[2-(2,4,6-trimethylphenyl)sulfanylethanoyl]but-2-enenitrile Openeye Name: (E)-3-amino-2-[2-(2,4,6-trimethylphenyl)sulfanylacetyl]but-2-enenitrile CAS Name: (E)-3-amino-2-[1-oxo-2-[(2,4,6-trimethylphenyl)thio]ethyl]-2-butenenitrile IUPAC Name: (E)-3-amino-2-[2-(2,4,6-trimethylphenyl)sulfanylacetyl]but-2-enenitrile Traditional Name: (E)-3-amino-2-[2-(mesitylthio)acetyl]but-2-enenitrile Formula: C15H18N2OS MolecularWeight: 274.38122

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)SCC(=O)C(=C(C)N)C#N)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)SCC(=O)/C(=C(\C)/N)/C#N)C

InChI

InChI=1S/C15H18N2OS/c1-9-5-10(2)15(11(3)6-9)19-8-14(18)13(7-16)12(4)17/h5-6H,8,17H2,1-4H3/b13-12+