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

Systemtic Name: (E)-3-azanyl-2-[2-(4-chlorophenyl)sulfanylethanoyl]but-2-enenitrile Openeye Name: (E)-3-amino-2-[2-(4-chlorophenyl)sulfanylacetyl]but-2-enenitrile CAS Name: (E)-3-amino-2-[2-[(4-chlorophenyl)thio]-1-oxoethyl]-2-butenenitrile IUPAC Name: (E)-3-amino-2-[2-(4-chlorophenyl)sulfanylacetyl]but-2-enenitrile Traditional Name: (E)-3-amino-2-[2-[(4-chlorophenyl)thio]acetyl]but-2-enenitrile Formula: C12H11ClN2OS MolecularWeight: 266.74654

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C#N)C(=O)CSC1=CC=C(C=C1)Cl)N

Isomeric SMILES

C/C(=C(/C#N)\C(=O)CSC1=CC=C(C=C1)Cl)/N

InChI

InChI=1S/C12H11ClN2OS/c1-8(15)11(6-14)12(16)7-17-10-4-2-9(13)3-5-10/h2-5H,7,15H2,1H3/b11-8+