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

Systemtic Name: [3-(3-azanyl-3-oxidanylidene-propyl)-4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-[(2-ethyl-1-benzofuran-3-yl)methyl]-methyl-azanium Openeye Name: [3-(3-amino-3-oxo-propyl)-4-methyl-5-thioxo-1,2,4-triazol-1-yl]methyl-[(2-ethylbenzofuran-3-yl)methyl]-methyl-ammonium CAS Name: [3-(3-amino-3-oxopropyl)-4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-[(2-ethyl-3-benzofuranyl)methyl]-methylammonium IUPAC Name: [3-(3-amino-3-oxopropyl)-4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-[(2-ethyl-1-benzofuran-3-yl)methyl]-methylazanium Traditional Name: [3-(3-amino-3-keto-propyl)-4-methyl-5-thioxo-1,2,4-triazol-1-yl]methyl-[(2-ethylbenzofuran-3-yl)methyl]-methyl-ammonium Formula: C19H26N5O2S+ MolecularWeight: 388.50704

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25N5O2S/c1-4-15-14(13-7-5-6-8-16(13)26-15)11-22(2)12-24-19(27)23(3)18(21-24)10-9-17(20)25/h5-8H,4,9-12H2,1-3H3,(H2,20,25)/p+1