5-[[2-oxidanylidene-2-[2-(3-phenoxyphenoxy)ethylamino]ethyl]sulfanylmethyl]-1H-1,2,4-triazol-3-olate

Systemtic Name: 5-[[2-oxidanylidene-2-[2-(3-phenoxyphenoxy)ethylamino]ethyl]sulfanylmethyl]-1H-1,2,4-triazol-3-olate Openeye Name: 5-[[2-oxo-2-[2-(3-phenoxyphenoxy)ethylamino]ethyl]sulfanylmethyl]-1H-1,2,4-triazol-3-olate CAS Name: 5-[[[2-oxo-2-[2-(3-phenoxyphenoxy)ethylamino]ethyl]thio]methyl]-1H-1,2,4-triazol-3-olate IUPAC Name: 5-[[2-oxo-2-[2-(3-phenoxyphenoxy)ethylamino]ethyl]sulfanylmethyl]-1H-1,2,4-triazol-3-olate Traditional Name: 5-[[[2-keto-2-[2-(3-phenoxyphenoxy)ethylamino]ethyl]thio]methyl]-1H-1,2,4-triazol-3-olate Formula: C19H19N4O4S- MolecularWeight: 399.44356

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=CC(=CC=C2)OCCNC(=O)CSCC3=NC(=NN3)[O-]

Isomeric SMILES

C1=CC=C(C=C1)OC2=CC(=CC=C2)OCCNC(=O)CSCC3=NC(=NN3)[O-]

InChI

InChI=1S/C19H20N4O4S/c24-18(13-28-12-17-21-19(25)23-22-17)20-9-10-26-15-7-4-8-16(11-15)27-14-5-2-1-3-6-14/h1-8,11H,9-10,12-13H2,(H,20,24)(H2,21,22,23,25)/p-1