N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-2-[1-(2-methoxyphenyl)-5-nitro-benzimidazol-2-yl]sulfanyl-propanamide

Systemtic Name: N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-2-[1-(2-methoxyphenyl)-5-nitro-benzimidazol-2-yl]sulfanyl-propanamide Openeye Name: N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-2-[1-(2-methoxyphenyl)-5-nitro-benzimidazol-2-yl]sulfanyl-propanamide CAS Name: N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-2-[[1-(2-methoxyphenyl)-5-nitro-2-benzimidazolyl]thio]propanamide IUPAC Name: N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[1-(2-methoxyphenyl)-5-nitrobenzimidazol-2-yl]sulfanylpropanamide Traditional Name: N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)-2-[[1-(2-methoxyphenyl)-5-nitro-benzimidazol-2-yl]thio]propionamide Formula: C28H26N6O5S MolecularWeight: 558.60824

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C(C)SC3=NC4=C(N3C5=CC=CC=C5OC)C=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C(C)SC3=NC4=C(N3C5=CC=CC=C5OC)C=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C28H26N6O5S/c1-17-25(27(36)33(31(17)3)19-10-6-5-7-11-19)30-26(35)18(2)40-28-29-21-16-20(34(37)38)14-15-22(21)32(28)23-12-8-9-13-24(23)39-4/h5-16,18H,1-4H3,(H,30,35)