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

Systemtic Name: [(1S)-1-[4-butyl-5-[2-[(4-chlorophenyl)methylamino]-2-oxidanylidene-ethyl]sulfanyl-1,2,4-triazol-3-yl]propyl]-dimethyl-azanium Openeye Name: [(1S)-1-[4-butyl-5-[2-[(4-chlorophenyl)methylamino]-2-oxo-ethyl]sulfanyl-1,2,4-triazol-3-yl]propyl]-dimethyl-ammonium CAS Name: [(1S)-1-[4-butyl-5-[[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]thio]-1,2,4-triazol-3-yl]propyl]-dimethylammonium IUPAC Name: [(1S)-1-[4-butyl-5-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]propyl]-dimethylazanium Traditional Name: [(1S)-1-[4-butyl-5-[[2-[(4-chlorobenzyl)amino]-2-keto-ethyl]thio]-1,2,4-triazol-3-yl]propyl]-dimethyl-ammonium Formula: C20H31ClN5OS+ MolecularWeight: 425.01104

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NN=C1SCC(=O)NCC2=CC=C(C=C2)Cl)C(CC)[NH+](C)C

Isomeric SMILES

CCCCN1C(=NN=C1SCC(=O)NCC2=CC=C(C=C2)Cl)[C@H](CC)[NH+](C)C

InChI

InChI=1S/C20H30ClN5OS/c1-5-7-12-26-19(17(6-2)25(3)4)23-24-20(26)28-14-18(27)22-13-15-8-10-16(21)11-9-15/h8-11,17H,5-7,12-14H2,1-4H3,(H,22,27)/p+1/t17-/m0/s1