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

Systemtic Name: (E)-3-azanyl-2-[2-[4-(3-nitrophenyl)-1-phenyl-imidazol-2-yl]sulfanylethanoyl]but-2-enenitrile Openeye Name: (E)-3-amino-2-[2-[4-(3-nitrophenyl)-1-phenyl-imidazol-2-yl]sulfanylacetyl]but-2-enenitrile CAS Name: (E)-3-amino-2-[2-[[4-(3-nitrophenyl)-1-phenyl-2-imidazolyl]thio]-1-oxoethyl]-2-butenenitrile IUPAC Name: (E)-3-amino-2-[2-[4-(3-nitrophenyl)-1-phenylimidazol-2-yl]sulfanylacetyl]but-2-enenitrile Traditional Name: (E)-3-amino-2-[2-[[4-(3-nitrophenyl)-1-phenyl-imidazol-2-yl]thio]acetyl]but-2-enenitrile Formula: C21H17N5O3S MolecularWeight: 419.45638

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C#N)C(=O)CSC1=NC(=CN1C2=CC=CC=C2)C3=CC(=CC=C3)[N+](=O)[O-])N

Isomeric SMILES

C/C(=C(/C#N)\C(=O)CSC1=NC(=CN1C2=CC=CC=C2)C3=CC(=CC=C3)[N+](=O)[O-])/N

InChI

InChI=1S/C21H17N5O3S/c1-14(23)18(11-22)20(27)13-30-21-24-19(12-25(21)16-7-3-2-4-8-16)15-6-5-9-17(10-15)26(28)29/h2-10,12H,13,23H2,1H3/b18-14+