3-[(2E)-3,7-dimethylocta-2,6-dienyl]sulfanyl-1H-1,2,4-triazol-5-amine

Systemtic Name: 3-[(2E)-3,7-dimethylocta-2,6-dienyl]sulfanyl-1H-1,2,4-triazol-5-amine Openeye Name: 3-[(2E)-3,7-dimethylocta-2,6-dienyl]sulfanyl-1H-1,2,4-triazol-5-amine CAS Name: 3-[[(2E)-3,7-dimethylocta-2,6-dienyl]thio]-1H-1,2,4-triazol-5-amine IUPAC Name: 3-[(2E)-3,7-dimethylocta-2,6-dienyl]sulfanyl-1H-1,2,4-triazol-5-amine Traditional Name: [3-[[(2E)-3,7-dimethylocta-2,6-dienyl]thio]-1H-1,2,4-triazol-5-yl]amine Formula: C12H20N4S MolecularWeight: 252.379

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=CCCC(=CCSC1=NNC(=N1)N)C)C

Isomeric SMILES

CC(=CCC/C(=C/CSC1=NNC(=N1)N)/C)C

InChI

InChI=1S/C12H20N4S/c1-9(2)5-4-6-10(3)7-8-17-12-14-11(13)15-16-12/h5,7H,4,6,8H2,1-3H3,(H3,13,14,15,16)/b10-7+