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

Systemtic Name: (2-ethyl-1-benzofuran-3-yl)methyl-methyl-[[3-methyl-4-(phenylmethyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]azanium Openeye Name: (4-benzyl-3-methyl-5-thioxo-1,2,4-triazol-1-yl)methyl-[(2-ethylbenzofuran-3-yl)methyl]-methyl-ammonium CAS Name: (2-ethyl-3-benzofuranyl)methyl-methyl-[[3-methyl-4-(phenylmethyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]ammonium IUPAC Name: (4-benzyl-3-methyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl-[(2-ethyl-1-benzofuran-3-yl)methyl]-methylazanium Traditional Name: (4-benzyl-3-methyl-5-thioxo-1,2,4-triazol-1-yl)methyl-[(2-ethylbenzofuran-3-yl)methyl]-methyl-ammonium Formula: C23H27N4OS+ MolecularWeight: 407.55168

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=CC=CC=C2O1)C[NH+](C)CN3C(=S)N(C(=N3)C)CC4=CC=CC=C4

Isomeric SMILES

CCC1=C(C2=CC=CC=C2O1)C[NH+](C)CN3C(=S)N(C(=N3)C)CC4=CC=CC=C4

InChI

InChI=1S/C23H26N4OS/c1-4-21-20(19-12-8-9-13-22(19)28-21)15-25(3)16-27-23(29)26(17(2)24-27)14-18-10-6-5-7-11-18/h5-13H,4,14-16H2,1-3H3/p+1