(E)-3-azanyl-2-[2-[(2-methylphenyl)methylsulfanyl]ethanoyl]but-2-enenitrile

Systemtic Name: (E)-3-azanyl-2-[2-[(2-methylphenyl)methylsulfanyl]ethanoyl]but-2-enenitrile Openeye Name: (E)-3-amino-2-[2-(o-tolylmethylsulfanyl)acetyl]but-2-enenitrile CAS Name: (E)-3-amino-2-[2-[(2-methylphenyl)methylthio]-1-oxoethyl]-2-butenenitrile IUPAC Name: (E)-3-amino-2-[2-[(2-methylphenyl)methylsulfanyl]acetyl]but-2-enenitrile Traditional Name: (E)-3-amino-2-[2-[(2-methylbenzyl)thio]acetyl]but-2-enenitrile Formula: C14H16N2OS MolecularWeight: 260.35464

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CSCC(=O)C(=C(C)N)C#N

Isomeric SMILES

CC1=CC=CC=C1CSCC(=O)/C(=C(\C)/N)/C#N

InChI

InChI=1S/C14H16N2OS/c1-10-5-3-4-6-12(10)8-18-9-14(17)13(7-15)11(2)16/h3-6H,8-9,16H2,1-2H3/b13-11+