(3R,3aR)-2-(2,4-dinitrophenyl)-6-[5-[(E)-2-(4-methoxyphenyl)ethenyl]-3-methyl-1,2-oxazol-4-yl]-N,3-diphenyl-3,3a-dihydropyrazolo[3,4-d][1,3]thiazol-5-imine

Systemtic Name: (3R,3aR)-2-(2,4-dinitrophenyl)-6-[5-[(E)-2-(4-methoxyphenyl)ethenyl]-3-methyl-1,2-oxazol-4-yl]-N,3-diphenyl-3,3a-dihydropyrazolo[3,4-d][1,3]thiazol-5-imine Openeye Name: (3R,3aR)-2-(2,4-dinitrophenyl)-6-[5-[(E)-2-(4-methoxyphenyl)vinyl]-3-methyl-isoxazol-4-yl]-N,3-diphenyl-3,3a-dihydropyrazolo[3,4-d]thiazol-5-imine CAS Name: (3R,3aR)-2-(2,4-dinitrophenyl)-6-[5-[(E)-2-(4-methoxyphenyl)ethenyl]-3-methyl-4-isoxazolyl]-N,3-diphenyl-3,3a-dihydropyrazolo[3,4-d]thiazol-5-imine IUPAC Name: (3R,3aR)-2-(2,4-dinitrophenyl)-6-[5-[(E)-2-(4-methoxyphenyl)ethenyl]-3-methyl-1,2-oxazol-4-yl]-N,3-diphenyl-3,3a-dihydropyrazolo[3,4-d][1,3]thiazol-5-imine Traditional Name: [(3R,3aR)-2-(2,4-dinitrophenyl)-6-[5-[(E)-2-(4-methoxyphenyl)vinyl]-3-methyl-isoxazol-4-yl]-3-phenyl-3,3a-dihydropyrazolo[3,4-d]thiazol-5-ylidene]-phenyl-amine Formula: C35H27N7O6S MolecularWeight: 673.69718

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC(=C1N2C3=NN(C(C3SC2=NC4=CC=CC=C4)C5=CC=CC=C5)C6=C(C=C(C=C6)[N+](=O)[O-])[N+](=O)[O-])C=CC7=CC=C(C=C7)OC

Isomeric SMILES

CC1=NOC(=C1N2C3=NN([C@@H]([C@H]3SC2=NC4=CC=CC=C4)C5=CC=CC=C5)C6=C(C=C(C=C6)[N+](=O)[O-])[N+](=O)[O-])/C=C/C7=CC=C(C=C7)OC

InChI

InChI=1S/C35H27N7O6S/c1-22-31(30(48-38-22)20-15-23-13-17-27(47-2)18-14-23)39-34-33(49-35(39)36-25-11-7-4-8-12-25)32(24-9-5-3-6-10-24)40(37-34)28-19-16-26(41(43)44)21-29(28)42(45)46/h3-21,32-33H,1-2H3/b20-15+,36-35?/t32-,33-/m1/s1