4-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-2,6-bis[(3-nitrophenyl)methylidene]thiomorpholine-3,5-dione

Systemtic Name: 4-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-2,6-bis[(3-nitrophenyl)methylidene]thiomorpholine-3,5-dione Openeye Name: 4-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-2,6-bis[(3-nitrophenyl)methylene]thiomorpholine-3,5-dione CAS Name: 4-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-2,6-bis[(3-nitrophenyl)methylidene]thiomorpholine-3,5-dione IUPAC Name: 4-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2,6-bis[(3-nitrophenyl)methylidene]thiomorpholine-3,5-dione Traditional Name: 4-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)-2,6-bis(3-nitrobenzylidene)thiomorpholine-3,5-quinone Formula: C29H21N5O7S MolecularWeight: 583.57134

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N3C(=O)C(=CC4=CC(=CC=C4)[N+](=O)[O-])SC(=CC5=CC(=CC=C5)[N+](=O)[O-])C3=O

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N3C(=O)C(=CC4=CC(=CC=C4)[N+](=O)[O-])SC(=CC5=CC(=CC=C5)[N+](=O)[O-])C3=O

InChI

InChI=1S/C29H21N5O7S/c1-18-26(29(37)32(30(18)2)21-10-4-3-5-11-21)31-27(35)24(16-19-8-6-12-22(14-19)33(38)39)42-25(28(31)36)17-20-9-7-13-23(15-20)34(40)41/h3-17H,1-2H3