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

Systemtic Name: [(1S)-1-[4-butyl-5-[2-[(1-cyanocyclohexyl)amino]-2-oxidanylidene-ethyl]sulfanyl-1,2,4-triazol-3-yl]propyl]-dimethyl-azanium Openeye Name: [(1S)-1-[4-butyl-5-[2-[(1-cyanocyclohexyl)amino]-2-oxo-ethyl]sulfanyl-1,2,4-triazol-3-yl]propyl]-dimethyl-ammonium CAS Name: [(1S)-1-[4-butyl-5-[[2-[(1-cyanocyclohexyl)amino]-2-oxoethyl]thio]-1,2,4-triazol-3-yl]propyl]-dimethylammonium IUPAC Name: [(1S)-1-[4-butyl-5-[2-[(1-cyanocyclohexyl)amino]-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]propyl]-dimethylazanium Traditional Name: [(1S)-1-[4-butyl-5-[[2-[(1-cyanocyclohexyl)amino]-2-keto-ethyl]thio]-1,2,4-triazol-3-yl]propyl]-dimethyl-ammonium Formula: C20H35N6OS+ MolecularWeight: 407.5965

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NN=C1SCC(=O)NC2(CCCCC2)C#N)C(CC)[NH+](C)C

Isomeric SMILES

CCCCN1C(=NN=C1SCC(=O)NC2(CCCCC2)C#N)[C@H](CC)[NH+](C)C

InChI

InChI=1S/C20H34N6OS/c1-5-7-13-26-18(16(6-2)25(3)4)23-24-19(26)28-14-17(27)22-20(15-21)11-9-8-10-12-20/h16H,5-14H2,1-4H3,(H,22,27)/p+1/t16-/m0/s1