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

Systemtic Name: (2-ethyl-1-benzofuran-3-yl)methyl-methyl-[(4-methyl-3-pyridin-4-yl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]azanium Openeye Name: (2-ethylbenzofuran-3-yl)methyl-methyl-[[4-methyl-3-(4-pyridyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]ammonium CAS Name: (2-ethyl-3-benzofuranyl)methyl-methyl-[(4-methyl-3-pyridin-4-yl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]ammonium IUPAC Name: (2-ethyl-1-benzofuran-3-yl)methyl-methyl-[(4-methyl-3-pyridin-4-yl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]azanium Traditional Name: (2-ethylbenzofuran-3-yl)methyl-methyl-[[4-methyl-3-(4-pyridyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]ammonium Formula: C21H24N5OS+ MolecularWeight: 394.51316

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N5OS/c1-4-18-17(16-7-5-6-8-19(16)27-18)13-24(2)14-26-21(28)25(3)20(23-26)15-9-11-22-12-10-15/h5-12H,4,13-14H2,1-3H3/p+1