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

Systemtic Name: (2-ethyl-1-benzofuran-3-yl)methyl-[(4-ethyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]-methyl-azanium Openeye Name: (2-ethylbenzofuran-3-yl)methyl-[(4-ethyl-5-thioxo-1,2,4-triazol-1-yl)methyl]-methyl-ammonium CAS Name: (2-ethyl-3-benzofuranyl)methyl-[(4-ethyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]-methylammonium IUPAC Name: (2-ethyl-1-benzofuran-3-yl)methyl-[(4-ethyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]-methylazanium Traditional Name: (2-ethylbenzofuran-3-yl)methyl-[(4-ethyl-5-thioxo-1,2,4-triazol-1-yl)methyl]-methyl-ammonium Formula: C17H23N4OS+ MolecularWeight: 331.45572

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N4OS/c1-4-15-14(13-8-6-7-9-16(13)22-15)10-19(3)12-21-17(23)20(5-2)11-18-21/h6-9,11H,4-5,10,12H2,1-3H3/p+1