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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC1=NN=C(S1)N2C(=NNC2=S)CCCCCCC

Isomeric SMILES

CCCCCCCCCCCC1=NN=C(S1)N2C(=NNC2=S)CCCCCCC

InChI

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