(4-ethyl-5-sulfanylidene-3-thiophen-2-yl-1,2,4-triazol-1-yl)methyl-methyl-[2-oxidanylidene-2-(propylamino)ethyl]azanium

Systemtic Name: (4-ethyl-5-sulfanylidene-3-thiophen-2-yl-1,2,4-triazol-1-yl)methyl-methyl-[2-oxidanylidene-2-(propylamino)ethyl]azanium Openeye Name: [4-ethyl-3-(2-thienyl)-5-thioxo-1,2,4-triazol-1-yl]methyl-methyl-[2-oxo-2-(propylamino)ethyl]ammonium CAS Name: (4-ethyl-5-sulfanylidene-3-thiophen-2-yl-1,2,4-triazol-1-yl)methyl-methyl-[2-oxo-2-(propylamino)ethyl]ammonium IUPAC Name: (4-ethyl-5-sulfanylidene-3-thiophen-2-yl-1,2,4-triazol-1-yl)methyl-methyl-[2-oxo-2-(propylamino)ethyl]azanium Traditional Name: [4-ethyl-3-(2-thienyl)-5-thioxo-1,2,4-triazol-1-yl]methyl-[2-keto-2-(propylamino)ethyl]-methyl-ammonium Formula: C15H24N5OS2+ MolecularWeight: 354.51396

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C[NH+](C)CN1C(=S)N(C(=N1)C2=CC=CS2)CC

Isomeric SMILES

CCCNC(=O)C[NH+](C)CN1C(=S)N(C(=N1)C2=CC=CS2)CC

InChI

InChI=1S/C15H23N5OS2/c1-4-8-16-13(21)10-18(3)11-20-15(22)19(5-2)14(17-20)12-7-6-9-23-12/h6-7,9H,4-5,8,10-11H2,1-3H3,(H,16,21)/p+1