(E)-3-azanyl-2-[2-[1-(4-methylphenyl)-5-phenyl-imidazol-2-yl]sulfanylethanoyl]but-2-enenitrile

Systemtic Name: (E)-3-azanyl-2-[2-[1-(4-methylphenyl)-5-phenyl-imidazol-2-yl]sulfanylethanoyl]but-2-enenitrile Openeye Name: (E)-3-amino-2-[2-[5-phenyl-1-(p-tolyl)imidazol-2-yl]sulfanylacetyl]but-2-enenitrile CAS Name: (E)-3-amino-2-[2-[[1-(4-methylphenyl)-5-phenyl-2-imidazolyl]thio]-1-oxoethyl]-2-butenenitrile IUPAC Name: (E)-3-amino-2-[2-[1-(4-methylphenyl)-5-phenylimidazol-2-yl]sulfanylacetyl]but-2-enenitrile Traditional Name: (E)-3-amino-2-[2-[[5-phenyl-1-(p-tolyl)imidazol-2-yl]thio]acetyl]but-2-enenitrile Formula: C22H20N4OS MolecularWeight: 388.4854

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=CN=C2SCC(=O)C(=C(C)N)C#N)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=CN=C2SCC(=O)/C(=C(\C)/N)/C#N)C3=CC=CC=C3

InChI

InChI=1S/C22H20N4OS/c1-15-8-10-18(11-9-15)26-20(17-6-4-3-5-7-17)13-25-22(26)28-14-21(27)19(12-23)16(2)24/h3-11,13H,14,24H2,1-2H3/b19-16+