(E)-3-azanyl-2-[2-[1-(2-methoxyphenyl)-5-nitro-benzimidazol-2-yl]sulfanylethanoyl]but-2-enenitrile

Systemtic Name: (E)-3-azanyl-2-[2-[1-(2-methoxyphenyl)-5-nitro-benzimidazol-2-yl]sulfanylethanoyl]but-2-enenitrile Openeye Name: (E)-3-amino-2-[2-[1-(2-methoxyphenyl)-5-nitro-benzimidazol-2-yl]sulfanylacetyl]but-2-enenitrile CAS Name: (E)-3-amino-2-[2-[[1-(2-methoxyphenyl)-5-nitro-2-benzimidazolyl]thio]-1-oxoethyl]-2-butenenitrile IUPAC Name: (E)-3-amino-2-[2-[1-(2-methoxyphenyl)-5-nitrobenzimidazol-2-yl]sulfanylacetyl]but-2-enenitrile Traditional Name: (E)-3-amino-2-[2-[[1-(2-methoxyphenyl)-5-nitro-benzimidazol-2-yl]thio]acetyl]but-2-enenitrile Formula: C20H17N5O4S MolecularWeight: 423.44508

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C#N)C(=O)CSC1=NC2=C(N1C3=CC=CC=C3OC)C=CC(=C2)[N+](=O)[O-])N

Isomeric SMILES

C/C(=C(/C#N)\C(=O)CSC1=NC2=C(N1C3=CC=CC=C3OC)C=CC(=C2)[N+](=O)[O-])/N

InChI

InChI=1S/C20H17N5O4S/c1-12(22)14(10-21)18(26)11-30-20-23-15-9-13(25(27)28)7-8-16(15)24(20)17-5-3-4-6-19(17)29-2/h3-9H,11,22H2,1-2H3/b14-12+