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

Systemtic Name: (3R,3aR)-6-[5-[(E)-2-(4-chlorophenyl)ethenyl]-3-methyl-1,2-oxazol-4-yl]-2-(2,4-dinitrophenyl)-N,3-diphenyl-3,3a-dihydropyrazolo[3,4-d][1,3]thiazol-5-imine Openeye Name: (3R,3aR)-6-[5-[(E)-2-(4-chlorophenyl)vinyl]-3-methyl-isoxazol-4-yl]-2-(2,4-dinitrophenyl)-N,3-diphenyl-3,3a-dihydropyrazolo[3,4-d]thiazol-5-imine CAS Name: (3R,3aR)-6-[5-[(E)-2-(4-chlorophenyl)ethenyl]-3-methyl-4-isoxazolyl]-2-(2,4-dinitrophenyl)-N,3-diphenyl-3,3a-dihydropyrazolo[3,4-d]thiazol-5-imine IUPAC Name: (3R,3aR)-6-[5-[(E)-2-(4-chlorophenyl)ethenyl]-3-methyl-1,2-oxazol-4-yl]-2-(2,4-dinitrophenyl)-N,3-diphenyl-3,3a-dihydropyrazolo[3,4-d][1,3]thiazol-5-imine Traditional Name: [(3R,3aR)-6-[5-[(E)-2-(4-chlorophenyl)vinyl]-3-methyl-isoxazol-4-yl]-2-(2,4-dinitrophenyl)-3-phenyl-3,3a-dihydropyrazolo[3,4-d]thiazol-5-ylidene]-phenyl-amine Formula: C34H24ClN7O5S MolecularWeight: 678.11626

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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)Cl

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)Cl

InChI

InChI=1S/C34H24ClN7O5S/c1-21-30(29(47-38-21)19-14-22-12-15-24(35)16-13-22)39-33-32(48-34(39)36-25-10-6-3-7-11-25)31(23-8-4-2-5-9-23)40(37-33)27-18-17-26(41(43)44)20-28(27)42(45)46/h2-20,31-32H,1H3/b19-14+,36-34?/t31-,32-/m1/s1