2-[2-oxidanylidene-2-[(5-phenyl-1H-pyrazol-3-yl)amino]ethyl]sulfanylethanoate

Systemtic Name: 2-[2-oxidanylidene-2-[(5-phenyl-1H-pyrazol-3-yl)amino]ethyl]sulfanylethanoate Openeye Name: 2-[2-oxo-2-[(5-phenyl-1H-pyrazol-3-yl)amino]ethyl]sulfanylacetate CAS Name: 2-[[2-oxo-2-[(5-phenyl-1H-pyrazol-3-yl)amino]ethyl]thio]acetate IUPAC Name: 2-[2-oxo-2-[(5-phenyl-1H-pyrazol-3-yl)amino]ethyl]sulfanylacetate Traditional Name: 2-[[2-keto-2-[(5-phenyl-1H-pyrazol-3-yl)amino]ethyl]thio]acetate Formula: C13H12N3O3S- MolecularWeight: 290.31768

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=NN2)NC(=O)CSCC(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=NN2)NC(=O)CSCC(=O)[O-]

InChI

InChI=1S/C13H13N3O3S/c17-12(7-20-8-13(18)19)14-11-6-10(15-16-11)9-4-2-1-3-5-9/h1-6H,7-8H2,(H,18,19)(H2,14,15,16,17)/p-1