(E)-3-azanyl-2-[2-(4-methylphenyl)sulfanylethanoyl]but-2-enenitrile

Systemtic Name: (E)-3-azanyl-2-[2-(4-methylphenyl)sulfanylethanoyl]but-2-enenitrile Openeye Name: (E)-3-amino-2-[2-(p-tolylsulfanyl)acetyl]but-2-enenitrile CAS Name: (E)-3-amino-2-[2-[(4-methylphenyl)thio]-1-oxoethyl]-2-butenenitrile IUPAC Name: (E)-3-amino-2-[2-(4-methylphenyl)sulfanylacetyl]but-2-enenitrile Traditional Name: (E)-3-amino-2-[2-(p-tolylthio)acetyl]but-2-enenitrile Formula: C13H14N2OS MolecularWeight: 246.32806

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14N2OS/c1-9-3-5-11(6-4-9)17-8-13(16)12(7-14)10(2)15/h3-6H,8,15H2,1-2H3/b12-10+