3-[[3-tert-butyl-4-[[6-(4-nitrophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]methoxy]phenoxy]methyl]-6-(4-nitrophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

Systemtic Name: 3-[[3-tert-butyl-4-[[6-(4-nitrophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]methoxy]phenoxy]methyl]-6-(4-nitrophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole Openeye Name: 3-[[3-tert-butyl-4-[[6-(4-nitrophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]methoxy]phenoxy]methyl]-6-(4-nitrophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole CAS Name: 3-[[3-tert-butyl-4-[[6-(4-nitrophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]methoxy]phenoxy]methyl]-6-(4-nitrophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole IUPAC Name: 3-[[3-tert-butyl-4-[[6-(4-nitrophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]methoxy]phenoxy]methyl]-6-(4-nitrophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole Traditional Name: 3-[[3-tert-butyl-4-[[6-(4-nitrophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]methoxy]phenoxy]methyl]-6-(4-nitrophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole Formula: C30H24N10O6S2 MolecularWeight: 684.70496

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C=CC(=C1)OCC2=NN=C3N2N=C(S3)C4=CC=C(C=C4)[N+](=O)[O-])OCC5=NN=C6N5N=C(S6)C7=CC=C(C=C7)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1=C(C=CC(=C1)OCC2=NN=C3N2N=C(S3)C4=CC=C(C=C4)[N+](=O)[O-])OCC5=NN=C6N5N=C(S6)C7=CC=C(C=C7)[N+](=O)[O-]

InChI

InChI=1S/C30H24N10O6S2/c1-30(2,3)22-14-21(45-15-24-31-33-28-37(24)35-26(47-28)17-4-8-19(9-5-17)39(41)42)12-13-23(22)46-16-25-32-34-29-38(25)36-27(48-29)18-6-10-20(11-7-18)40(43)44/h4-14H,15-16H2,1-3H3