4-[3-(diethylazaniumyl)propyl]-5-thiophen-2-yl-1,2,4-triazole-3-thiolate

Systemtic Name: 4-[3-(diethylazaniumyl)propyl]-5-thiophen-2-yl-1,2,4-triazole-3-thiolate Openeye Name: 4-[3-(diethylammonio)propyl]-5-(2-thienyl)-1,2,4-triazole-3-thiolate CAS Name: 4-[3-(diethylammonio)propyl]-5-thiophen-2-yl-1,2,4-triazole-3-thiolate IUPAC Name: 4-[3-(diethylazaniumyl)propyl]-5-thiophen-2-yl-1,2,4-triazole-3-thiolate Traditional Name: 4-[3-(diethylammonio)propyl]-5-(2-thienyl)-1,2,4-triazole-3-thiolate Formula: C13H20N4S2 MolecularWeight: 296.4547

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCCN1C(=NN=C1[S-])C2=CC=CS2

Isomeric SMILES

CC[NH+](CC)CCCN1C(=NN=C1[S-])C2=CC=CS2

InChI

InChI=1S/C13H20N4S2/c1-3-16(4-2)8-6-9-17-12(14-15-13(17)18)11-7-5-10-19-11/h5,7,10H,3-4,6,8-9H2,1-2H3,(H,15,18)