ethyl 2-[2-(4-methyl-1-phenyl-pyrazolo[3,4-d]pyridazin-7-yl)sulfanylethanoylamino]ethanoate

Systemtic Name: ethyl 2-[2-(4-methyl-1-phenyl-pyrazolo[3,4-d]pyridazin-7-yl)sulfanylethanoylamino]ethanoate Openeye Name: ethyl 2-[[2-(4-methyl-1-phenyl-pyrazolo[3,4-d]pyridazin-7-yl)sulfanylacetyl]amino]acetate CAS Name: 2-[[2-[(4-methyl-1-phenyl-7-pyrazolo[3,4-d]pyridazinyl)thio]-1-oxoethyl]amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[[2-(4-methyl-1-phenylpyrazolo[3,4-d]pyridazin-7-yl)sulfanylacetyl]amino]acetate Traditional Name: 2-[[2-[(4-methyl-1-phenyl-pyrazolo[3,4-d]pyridazin-7-yl)thio]acetyl]amino]acetic acid ethyl ester Formula: C18H19N5O3S MolecularWeight: 385.44016

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CNC(=O)CSC1=NN=C(C2=C1N(N=C2)C3=CC=CC=C3)C

Isomeric SMILES

CCOC(=O)CNC(=O)CSC1=NN=C(C2=C1N(N=C2)C3=CC=CC=C3)C

InChI

InChI=1S/C18H19N5O3S/c1-3-26-16(25)10-19-15(24)11-27-18-17-14(12(2)21-22-18)9-20-23(17)13-7-5-4-6-8-13/h4-9H,3,10-11H2,1-2H3,(H,19,24)