3-[12-(2-azanylidene-5-phenyl-1,3,4-thiadiazol-3-yl)dodecyl]-5-phenyl-1,3,4-thiadiazol-2-imine bromide

Systemtic Name: 3-[12-(2-azanylidene-5-phenyl-1,3,4-thiadiazol-3-yl)dodecyl]-5-phenyl-1,3,4-thiadiazol-2-imine bromide Openeye Name: 3-[12-(2-imino-5-phenyl-1,3,4-thiadiazol-3-yl)dodecyl]-5-phenyl-1,3,4-thiadiazol-2-imine bromide CAS Name: 3-[12-(2-imino-5-phenyl-1,3,4-thiadiazol-3-yl)dodecyl]-5-phenyl-1,3,4-thiadiazol-2-imine bromide IUPAC Name: 3-[12-(2-imino-5-phenyl-1,3,4-thiadiazol-3-yl)dodecyl]-5-phenyl-1,3,4-thiadiazol-2-imine bromide Traditional Name: [3-[12-(2-imino-5-phenyl-1,3,4-thiadiazol-3-yl)dodecyl]-5-phenyl-1,3,4-thiadiazol-2-ylidene]amine bromide Formula: C28H36BrN6S2- MolecularWeight: 600.65964

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN(C(=N)S2)CCCCCCCCCCCCN3C(=N)SC(=N3)C4=CC=CC=C4.[Br-]

Isomeric SMILES

C1=CC=C(C=C1)C2=NN(C(=N)S2)CCCCCCCCCCCCN3C(=N)SC(=N3)C4=CC=CC=C4.[Br-]

InChI

InChI=1S/C28H36N6S2.BrH/c29-27-33(31-25(35-27)23-17-11-9-12-18-23)21-15-7-5-3-1-2-4-6-8-16-22-34-28(30)36-26(32-34)24-19-13-10-14-20-24;/h9-14,17-20,29-30H,1-8,15-16,21-22H2;1H/p-1