(E)-3-azanyl-2-[2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanylethanoyl]but-2-enenitrile

Systemtic Name: (E)-3-azanyl-2-[2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanylethanoyl]but-2-enenitrile Openeye Name: (E)-3-amino-2-[2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanylacetyl]but-2-enenitrile CAS Name: (E)-3-amino-2-[2-[[1-(3-chlorophenyl)-2-imidazolyl]thio]-1-oxoethyl]-2-butenenitrile IUPAC Name: (E)-3-amino-2-[2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanylacetyl]but-2-enenitrile Traditional Name: (E)-3-amino-2-[2-[[1-(3-chlorophenyl)imidazol-2-yl]thio]acetyl]but-2-enenitrile Formula: C15H13ClN4OS MolecularWeight: 332.80792

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C#N)C(=O)CSC1=NC=CN1C2=CC(=CC=C2)Cl)N

Isomeric SMILES

C/C(=C(/C#N)\C(=O)CSC1=NC=CN1C2=CC(=CC=C2)Cl)/N

InChI

InChI=1S/C15H13ClN4OS/c1-10(18)13(8-17)14(21)9-22-15-19-5-6-20(15)12-4-2-3-11(16)7-12/h2-7H,9,18H2,1H3/b13-10+