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

Systemtic Name: [(1S)-1-[4-butyl-5-[2-[(3-ethanoylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-1,2,4-triazol-3-yl]propyl]-dimethyl-azanium Openeye Name: [(1S)-1-[5-[2-(3-acetylanilino)-2-oxo-ethyl]sulfanyl-4-butyl-1,2,4-triazol-3-yl]propyl]-dimethyl-ammonium CAS Name: [(1S)-1-[5-[[2-(3-acetylanilino)-2-oxoethyl]thio]-4-butyl-1,2,4-triazol-3-yl]propyl]-dimethylammonium IUPAC Name: [(1S)-1-[5-[2-(3-acetylanilino)-2-oxoethyl]sulfanyl-4-butyl-1,2,4-triazol-3-yl]propyl]-dimethylazanium Traditional Name: [(1S)-1-[5-[[2-(3-acetylanilino)-2-keto-ethyl]thio]-4-butyl-1,2,4-triazol-3-yl]propyl]-dimethyl-ammonium Formula: C21H32N5O2S+ MolecularWeight: 418.57608

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H31N5O2S/c1-6-8-12-26-20(18(7-2)25(4)5)23-24-21(26)29-14-19(28)22-17-11-9-10-16(13-17)15(3)27/h9-11,13,18H,6-8,12,14H2,1-5H3,(H,22,28)/p+1/t18-/m0/s1