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

Systemtic Name: (3,4-dicyclopropyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl-[(2-ethyl-1-benzofuran-3-yl)methyl]-methyl-azanium Openeye Name: (3,4-dicyclopropyl-5-thioxo-1,2,4-triazol-1-yl)methyl-[(2-ethylbenzofuran-3-yl)methyl]-methyl-ammonium CAS Name: (3,4-dicyclopropyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl-[(2-ethyl-3-benzofuranyl)methyl]-methylammonium IUPAC Name: (3,4-dicyclopropyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl-[(2-ethyl-1-benzofuran-3-yl)methyl]-methylazanium Traditional Name: (3,4-dicyclopropyl-5-thioxo-1,2,4-triazol-1-yl)methyl-[(2-ethylbenzofuran-3-yl)methyl]-methyl-ammonium Formula: C21H27N4OS+ MolecularWeight: 383.53028

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=CC=CC=C2O1)C[NH+](C)CN3C(=S)N(C(=N3)C4CC4)C5CC5

Isomeric SMILES

CCC1=C(C2=CC=CC=C2O1)C[NH+](C)CN3C(=S)N(C(=N3)C4CC4)C5CC5

InChI

InChI=1S/C21H26N4OS/c1-3-18-17(16-6-4-5-7-19(16)26-18)12-23(2)13-24-21(27)25(15-10-11-15)20(22-24)14-8-9-14/h4-7,14-15H,3,8-13H2,1-2H3/p+1