(2-ethyl-1-benzofuran-3-yl)methyl-methyl-[(4-methyl-3-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]azanium

Systemtic Name: (2-ethyl-1-benzofuran-3-yl)methyl-methyl-[(4-methyl-3-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]azanium Openeye Name: (2-ethylbenzofuran-3-yl)methyl-methyl-[(4-methyl-3-phenyl-5-thioxo-1,2,4-triazol-1-yl)methyl]ammonium CAS Name: (2-ethyl-3-benzofuranyl)methyl-methyl-[(4-methyl-3-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]ammonium IUPAC Name: (2-ethyl-1-benzofuran-3-yl)methyl-methyl-[(4-methyl-3-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]azanium Traditional Name: (2-ethylbenzofuran-3-yl)methyl-methyl-[(4-methyl-3-phenyl-5-thioxo-1,2,4-triazol-1-yl)methyl]ammonium Formula: C22H25N4OS+ MolecularWeight: 393.5251

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=CC=CC=C2O1)C[NH+](C)CN3C(=S)N(C(=N3)C4=CC=CC=C4)C

Isomeric SMILES

CCC1=C(C2=CC=CC=C2O1)C[NH+](C)CN3C(=S)N(C(=N3)C4=CC=CC=C4)C

InChI

InChI=1S/C22H24N4OS/c1-4-19-18(17-12-8-9-13-20(17)27-19)14-24(2)15-26-22(28)25(3)21(23-26)16-10-6-5-7-11-16/h5-13H,4,14-15H2,1-3H3/p+1