2-[3-[2-oxidanylidene-2-(3-phenylsulfanylpropylamino)ethyl]sulfanyl-5-propyl-1,2,4-triazol-4-yl]ethanoic acid

Systemtic Name: 2-[3-[2-oxidanylidene-2-(3-phenylsulfanylpropylamino)ethyl]sulfanyl-5-propyl-1,2,4-triazol-4-yl]ethanoic acid Openeye Name: 2-[3-[2-oxo-2-(3-phenylsulfanylpropylamino)ethyl]sulfanyl-5-propyl-1,2,4-triazol-4-yl]acetic acid CAS Name: 2-[3-[[2-oxo-2-[3-(phenylthio)propylamino]ethyl]thio]-5-propyl-1,2,4-triazol-4-yl]acetic acid IUPAC Name: 2-[3-[2-oxo-2-(3-phenylsulfanylpropylamino)ethyl]sulfanyl-5-propyl-1,2,4-triazol-4-yl]acetic acid Traditional Name: 2-[3-[[2-keto-2-[3-(phenylthio)propylamino]ethyl]thio]-5-propyl-1,2,4-triazol-4-yl]acetic acid Formula: C18H24N4O3S2 MolecularWeight: 408.53816

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN=C(N1CC(=O)O)SCC(=O)NCCCSC2=CC=CC=C2

Isomeric SMILES

CCCC1=NN=C(N1CC(=O)O)SCC(=O)NCCCSC2=CC=CC=C2

InChI

InChI=1S/C18H24N4O3S2/c1-2-7-15-20-21-18(22(15)12-17(24)25)27-13-16(23)19-10-6-11-26-14-8-4-3-5-9-14/h3-5,8-9H,2,6-7,10-13H2,1H3,(H,19,23)(H,24,25)