4-(5-heptyl-1,3,4-thiadiazol-2-yl)-3-undecyl-1H-1,2,4-triazole-5-thione

Systemtic Name: 4-(5-heptyl-1,3,4-thiadiazol-2-yl)-3-undecyl-1H-1,2,4-triazole-5-thione Openeye Name: 4-(5-heptyl-1,3,4-thiadiazol-2-yl)-3-undecyl-1H-1,2,4-triazole-5-thione CAS Name: 4-(5-heptyl-1,3,4-thiadiazol-2-yl)-3-undecyl-1H-1,2,4-triazole-5-thione IUPAC Name: 4-(5-heptyl-1,3,4-thiadiazol-2-yl)-3-undecyl-1H-1,2,4-triazole-5-thione Traditional Name: 4-(5-heptyl-1,3,4-thiadiazol-2-yl)-3-undecyl-1H-1,2,4-triazole-5-thione Formula: C22H39N5S2 MolecularWeight: 437.70856

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC1=NNC(=S)N1C2=NN=C(S2)CCCCCCC

Isomeric SMILES

CCCCCCCCCCCC1=NNC(=S)N1C2=NN=C(S2)CCCCCCC

InChI

InChI=1S/C22H39N5S2/c1-3-5-7-9-10-11-12-14-15-17-19-23-25-21(28)27(19)22-26-24-20(29-22)18-16-13-8-6-4-2/h3-18H2,1-2H3,(H,25,28)