ethyl 2-[4-(3,5-dimethylpyrazol-1-yl)phthalazin-1-yl]sulfanylethanoate

Systemtic Name: ethyl 2-[4-(3,5-dimethylpyrazol-1-yl)phthalazin-1-yl]sulfanylethanoate Openeye Name: ethyl 2-[4-(3,5-dimethylpyrazol-1-yl)phthalazin-1-yl]sulfanylacetate CAS Name: 2-[[4-(3,5-dimethyl-1-pyrazolyl)-1-phthalazinyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-(3,5-dimethylpyrazol-1-yl)phthalazin-1-yl]sulfanylacetate Traditional Name: 2-[[4-(3,5-dimethylpyrazol-1-yl)phthalazin-1-yl]thio]acetic acid ethyl ester Formula: C17H18N4O2S MolecularWeight: 342.41542

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NN=C(C2=CC=CC=C21)N3C(=CC(=N3)C)C

Isomeric SMILES

CCOC(=O)CSC1=NN=C(C2=CC=CC=C21)N3C(=CC(=N3)C)C

InChI

InChI=1S/C17H18N4O2S/c1-4-23-15(22)10-24-17-14-8-6-5-7-13(14)16(18-19-17)21-12(3)9-11(2)20-21/h5-9H,4,10H2,1-3H3