(E)-3-azanyl-2-[2-(2,5-dimethylphenyl)sulfanylethanoyl]but-2-enenitrile

Systemtic Name: (E)-3-azanyl-2-[2-(2,5-dimethylphenyl)sulfanylethanoyl]but-2-enenitrile Openeye Name: (E)-3-amino-2-[2-(2,5-dimethylphenyl)sulfanylacetyl]but-2-enenitrile CAS Name: (E)-3-amino-2-[2-[(2,5-dimethylphenyl)thio]-1-oxoethyl]-2-butenenitrile IUPAC Name: (E)-3-amino-2-[2-(2,5-dimethylphenyl)sulfanylacetyl]but-2-enenitrile Traditional Name: (E)-3-amino-2-[2-[(2,5-dimethylphenyl)thio]acetyl]but-2-enenitrile Formula: C14H16N2OS MolecularWeight: 260.35464

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16N2OS/c1-9-4-5-10(2)14(6-9)18-8-13(17)12(7-15)11(3)16/h4-6H,8,16H2,1-3H3/b12-11+