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

Systemtic Name: 3-[12-[2-azanylidene-5-(4-methylphenyl)-1,3,4-thiadiazol-3-yl]dodecyl]-5-(4-methylphenyl)-1,3,4-thiadiazol-2-imine dihydrobromide Openeye Name: 3-[12-[2-imino-5-(p-tolyl)-1,3,4-thiadiazol-3-yl]dodecyl]-5-(p-tolyl)-1,3,4-thiadiazol-2-imine dihydrobromide CAS Name: 3-[12-[2-imino-5-(4-methylphenyl)-1,3,4-thiadiazol-3-yl]dodecyl]-5-(4-methylphenyl)-1,3,4-thiadiazol-2-imine dihydrobromide IUPAC Name: 3-[12-[2-imino-5-(4-methylphenyl)-1,3,4-thiadiazol-3-yl]dodecyl]-5-(4-methylphenyl)-1,3,4-thiadiazol-2-imine dihydrobromide Traditional Name: [3-[12-[2-imino-5-(p-tolyl)-1,3,4-thiadiazol-3-yl]dodecyl]-5-(p-tolyl)-1,3,4-thiadiazol-2-ylidene]amine dihydrobromide Formula: C30H42Br2N6S2 MolecularWeight: 710.63268

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C(=N)S2)CCCCCCCCCCCCN3C(=N)SC(=N3)C4=CC=C(C=C4)C.Br.Br

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C(=N)S2)CCCCCCCCCCCCN3C(=N)SC(=N3)C4=CC=C(C=C4)C.Br.Br

InChI

InChI=1S/C30H40N6S2.2BrH/c1-23-13-17-25(18-14-23)27-33-35(29(31)37-27)21-11-9-7-5-3-4-6-8-10-12-22-36-30(32)38-28(34-36)26-19-15-24(2)16-20-26;;/h13-20,31-32H,3-12,21-22H2,1-2H3;2*1H