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

Systemtic Name: (4-cyclopropyl-3-methyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl-[(2-ethyl-1-benzofuran-3-yl)methyl]-methyl-azanium Openeye Name: (4-cyclopropyl-3-methyl-5-thioxo-1,2,4-triazol-1-yl)methyl-[(2-ethylbenzofuran-3-yl)methyl]-methyl-ammonium CAS Name: (4-cyclopropyl-3-methyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl-[(2-ethyl-3-benzofuranyl)methyl]-methylammonium IUPAC Name: (4-cyclopropyl-3-methyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl-[(2-ethyl-1-benzofuran-3-yl)methyl]-methylazanium Traditional Name: (4-cyclopropyl-3-methyl-5-thioxo-1,2,4-triazol-1-yl)methyl-[(2-ethylbenzofuran-3-yl)methyl]-methyl-ammonium Formula: C19H25N4OS+ MolecularWeight: 357.493

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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)C4CC4

Isomeric SMILES

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

InChI

InChI=1S/C19H24N4OS/c1-4-17-16(15-7-5-6-8-18(15)24-17)11-21(3)12-22-19(25)23(13(2)20-22)14-9-10-14/h5-8,14H,4,9-12H2,1-3H3/p+1