(2-chloranyl-6-fluoranyl-phenyl)methyl-[(4-ethyl-3-pyridin-4-yl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]-methyl-azanium

Systemtic Name: (2-chloranyl-6-fluoranyl-phenyl)methyl-[(4-ethyl-3-pyridin-4-yl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]-methyl-azanium Openeye Name: (2-chloro-6-fluoro-phenyl)methyl-[[4-ethyl-3-(4-pyridyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]-methyl-ammonium CAS Name: (2-chloro-6-fluorophenyl)methyl-[(4-ethyl-3-pyridin-4-yl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]-methylammonium IUPAC Name: (2-chloro-6-fluorophenyl)methyl-[(4-ethyl-3-pyridin-4-yl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]-methylazanium Traditional Name: (2-chloro-6-fluoro-benzyl)-[[4-ethyl-3-(4-pyridyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]-methyl-ammonium Formula: C18H20ClFN5S+ MolecularWeight: 392.901303

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN(C1=S)C[NH+](C)CC2=C(C=CC=C2Cl)F)C3=CC=NC=C3

Isomeric SMILES

CCN1C(=NN(C1=S)C[NH+](C)CC2=C(C=CC=C2Cl)F)C3=CC=NC=C3

InChI

InChI=1S/C18H19ClFN5S/c1-3-24-17(13-7-9-21-10-8-13)22-25(18(24)26)12-23(2)11-14-15(19)5-4-6-16(14)20/h4-10H,3,11-12H2,1-2H3/p+1