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

Systemtic Name: [(1S)-1-[4-butyl-5-[2-[(3-methoxyphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-1,2,4-triazol-3-yl]propyl]-dimethyl-azanium Openeye Name: [(1S)-1-[4-butyl-5-[2-(3-methoxyanilino)-2-oxo-ethyl]sulfanyl-1,2,4-triazol-3-yl]propyl]-dimethyl-ammonium CAS Name: [(1S)-1-[4-butyl-5-[[2-(3-methoxyanilino)-2-oxoethyl]thio]-1,2,4-triazol-3-yl]propyl]-dimethylammonium IUPAC Name: [(1S)-1-[4-butyl-5-[2-(3-methoxyanilino)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]propyl]-dimethylazanium Traditional Name: [(1S)-1-[4-butyl-5-[[2-keto-2-(m-anisidino)ethyl]thio]-1,2,4-triazol-3-yl]propyl]-dimethyl-ammonium Formula: C20H32N5O2S+ MolecularWeight: 406.56538

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NN=C1SCC(=O)NC2=CC(=CC=C2)OC)C(CC)[NH+](C)C

Isomeric SMILES

CCCCN1C(=NN=C1SCC(=O)NC2=CC(=CC=C2)OC)[C@H](CC)[NH+](C)C

InChI

InChI=1S/C20H31N5O2S/c1-6-8-12-25-19(17(7-2)24(3)4)22-23-20(25)28-14-18(26)21-15-10-9-11-16(13-15)27-5/h9-11,13,17H,6-8,12,14H2,1-5H3,(H,21,26)/p+1/t17-/m0/s1