(E)-3-azanyl-2-[2-[1-(3-chlorophenyl)-5-phenyl-imidazol-2-yl]sulfanylethanoyl]but-2-enenitrile

Systemtic Name: (E)-3-azanyl-2-[2-[1-(3-chlorophenyl)-5-phenyl-imidazol-2-yl]sulfanylethanoyl]but-2-enenitrile Openeye Name: (E)-3-amino-2-[2-[1-(3-chlorophenyl)-5-phenyl-imidazol-2-yl]sulfanylacetyl]but-2-enenitrile CAS Name: (E)-3-amino-2-[2-[[1-(3-chlorophenyl)-5-phenyl-2-imidazolyl]thio]-1-oxoethyl]-2-butenenitrile IUPAC Name: (E)-3-amino-2-[2-[1-(3-chlorophenyl)-5-phenylimidazol-2-yl]sulfanylacetyl]but-2-enenitrile Traditional Name: (E)-3-amino-2-[2-[[1-(3-chlorophenyl)-5-phenyl-imidazol-2-yl]thio]acetyl]but-2-enenitrile Formula: C21H17ClN4OS MolecularWeight: 408.90388

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C#N)C(=O)CSC1=NC=C(N1C2=CC(=CC=C2)Cl)C3=CC=CC=C3)N

Isomeric SMILES

C/C(=C(/C#N)\C(=O)CSC1=NC=C(N1C2=CC(=CC=C2)Cl)C3=CC=CC=C3)/N

InChI

InChI=1S/C21H17ClN4OS/c1-14(24)18(11-23)20(27)13-28-21-25-12-19(15-6-3-2-4-7-15)26(21)17-9-5-8-16(22)10-17/h2-10,12H,13,24H2,1H3/b18-14+