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

Systemtic Name: [(1S)-1-[4-butyl-5-[2-[(2-ethoxyphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-1,2,4-triazol-3-yl]propyl]-dimethyl-azanium Openeye Name: [(1S)-1-[4-butyl-5-[2-(2-ethoxyanilino)-2-oxo-ethyl]sulfanyl-1,2,4-triazol-3-yl]propyl]-dimethyl-ammonium CAS Name: [(1S)-1-[4-butyl-5-[[2-(2-ethoxyanilino)-2-oxoethyl]thio]-1,2,4-triazol-3-yl]propyl]-dimethylammonium IUPAC Name: [(1S)-1-[4-butyl-5-[2-(2-ethoxyanilino)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]propyl]-dimethylazanium Traditional Name: [(1S)-1-[4-butyl-5-[[2-keto-2-(o-phenetidino)ethyl]thio]-1,2,4-triazol-3-yl]propyl]-dimethyl-ammonium Formula: C21H34N5O2S+ MolecularWeight: 420.59196

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NN=C1SCC(=O)NC2=CC=CC=C2OCC)C(CC)[NH+](C)C

Isomeric SMILES

CCCCN1C(=NN=C1SCC(=O)NC2=CC=CC=C2OCC)[C@H](CC)[NH+](C)C

InChI

InChI=1S/C21H33N5O2S/c1-6-9-14-26-20(17(7-2)25(4)5)23-24-21(26)29-15-19(27)22-16-12-10-11-13-18(16)28-8-3/h10-13,17H,6-9,14-15H2,1-5H3,(H,22,27)/p+1/t17-/m0/s1