2-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)imino-3-[(3-nitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methylamino]-5-[(5-nitro-2-oxidanyl-phenyl)methylidene]-1,3-thiazolidin-4-one

Systemtic Name: 2-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)imino-3-[(3-nitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methylamino]-5-[(5-nitro-2-oxidanyl-phenyl)methylidene]-1,3-thiazolidin-4-one Openeye Name: 2-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)imino-5-[(2-hydroxy-5-nitro-phenyl)methylene]-3-[(3-nitro-6-oxo-cyclohexa-2,4-dien-1-ylidene)methylamino]thiazolidin-4-one CAS Name: 2-[(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)imino]-5-[(2-hydroxy-5-nitrophenyl)methylidene]-3-[(3-nitro-6-oxo-1-cyclohexa-2,4-dienylidene)methylamino]-4-thiazolidinone IUPAC Name: 2-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)imino-5-[(2-hydroxy-5-nitrophenyl)methylidene]-3-[(3-nitro-6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]-1,3-thiazolidin-4-one Traditional Name: 5-(2-hydroxy-5-nitro-benzylidene)-2-[(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)imino]-3-[(6-keto-3-nitro-cyclohexa-2,4-dien-1-ylidene)methylamino]thiazolidin-4-one Formula: C28H21N7O8S MolecularWeight: 615.57344

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N=C3N(C(=O)C(=CC4=C(C=CC(=C4)[N+](=O)[O-])O)S3)NC=C5C=C(C=CC5=O)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N=C3N(C(=O)C(=CC4=C(C=CC(=C4)[N+](=O)[O-])O)S3)NC=C5C=C(C=CC5=O)[N+](=O)[O-]

InChI

InChI=1S/C28H21N7O8S/c1-16-25(27(39)33(31(16)2)19-6-4-3-5-7-19)30-28-32(29-15-18-13-21(35(42)43)9-11-23(18)37)26(38)24(44-28)14-17-12-20(34(40)41)8-10-22(17)36/h3-15,29,36H,1-2H3