[(1S)-1-[4-butyl-5-[2-[(2,6-diethylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-1,2,4-triazol-3-yl]propyl]-dimethyl-azanium

Systemtic Name: [(1S)-1-[4-butyl-5-[2-[(2,6-diethylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-1,2,4-triazol-3-yl]propyl]-dimethyl-azanium Openeye Name: [(1S)-1-[4-butyl-5-[2-(2,6-diethylanilino)-2-oxo-ethyl]sulfanyl-1,2,4-triazol-3-yl]propyl]-dimethyl-ammonium CAS Name: [(1S)-1-[4-butyl-5-[[2-(2,6-diethylanilino)-2-oxoethyl]thio]-1,2,4-triazol-3-yl]propyl]-dimethylammonium IUPAC Name: [(1S)-1-[4-butyl-5-[2-(2,6-diethylanilino)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]propyl]-dimethylazanium Traditional Name: [(1S)-1-[4-butyl-5-[[2-(2,6-diethylanilino)-2-keto-ethyl]thio]-1,2,4-triazol-3-yl]propyl]-dimethyl-ammonium Formula: C23H38N5OS+ MolecularWeight: 432.64572

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NN=C1SCC(=O)NC2=C(C=CC=C2CC)CC)C(CC)[NH+](C)C

Isomeric SMILES

CCCCN1C(=NN=C1SCC(=O)NC2=C(C=CC=C2CC)CC)[C@H](CC)[NH+](C)C

InChI

InChI=1S/C23H37N5OS/c1-7-11-15-28-22(19(10-4)27(5)6)25-26-23(28)30-16-20(29)24-21-17(8-2)13-12-14-18(21)9-3/h12-14,19H,7-11,15-16H2,1-6H3,(H,24,29)/p+1/t19-/m0/s1