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

Systemtic Name: (2-ethyl-1-benzofuran-3-yl)methyl-[(4-ethyl-3-morpholin-4-yl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]-methyl-azanium Openeye Name: (2-ethylbenzofuran-3-yl)methyl-[(4-ethyl-3-morpholino-5-thioxo-1,2,4-triazol-1-yl)methyl]-methyl-ammonium CAS Name: (2-ethyl-3-benzofuranyl)methyl-[[4-ethyl-3-(4-morpholinyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]-methylammonium IUPAC Name: (2-ethyl-1-benzofuran-3-yl)methyl-[(4-ethyl-3-morpholin-4-yl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]-methylazanium Traditional Name: (2-ethylbenzofuran-3-yl)methyl-[(4-ethyl-3-morpholino-5-thioxo-1,2,4-triazol-1-yl)methyl]-methyl-ammonium Formula: C21H30N5O2S+ MolecularWeight: 416.5602

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=CC=CC=C2O1)C[NH+](C)CN3C(=S)N(C(=N3)N4CCOCC4)CC

Isomeric SMILES

CCC1=C(C2=CC=CC=C2O1)C[NH+](C)CN3C(=S)N(C(=N3)N4CCOCC4)CC

InChI

InChI=1S/C21H29N5O2S/c1-4-18-17(16-8-6-7-9-19(16)28-18)14-23(3)15-26-21(29)25(5-2)20(22-26)24-10-12-27-13-11-24/h6-9H,4-5,10-15H2,1-3H3/p+1