(4-ethyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl-[2-[(2-methoxyphenyl)amino]-2-oxidanylidene-ethyl]-propyl-azanium

Systemtic Name: (4-ethyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl-[2-[(2-methoxyphenyl)amino]-2-oxidanylidene-ethyl]-propyl-azanium Openeye Name: (4-ethyl-5-thioxo-1,2,4-triazol-1-yl)methyl-[2-(2-methoxyanilino)-2-oxo-ethyl]-propyl-ammonium CAS Name: (4-ethyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl-[2-(2-methoxyanilino)-2-oxoethyl]-propylammonium IUPAC Name: (4-ethyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl-[2-(2-methoxyanilino)-2-oxoethyl]-propylazanium Traditional Name: (4-ethyl-5-thioxo-1,2,4-triazol-1-yl)methyl-[2-keto-2-(o-anisidino)ethyl]-propyl-ammonium Formula: C17H26N5O2S+ MolecularWeight: 364.48564

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+](CC(=O)NC1=CC=CC=C1OC)CN2C(=S)N(C=N2)CC

Isomeric SMILES

CCC[NH+](CC(=O)NC1=CC=CC=C1OC)CN2C(=S)N(C=N2)CC

InChI

InChI=1S/C17H25N5O2S/c1-4-10-20(13-22-17(25)21(5-2)12-18-22)11-16(23)19-14-8-6-7-9-15(14)24-3/h6-9,12H,4-5,10-11,13H2,1-3H3,(H,19,23)/p+1