ethyl 2-[4-oxidanylidene-3-(thiocyanatomethyl)phthalazin-1-yl]ethanoate

Systemtic Name: ethyl 2-[4-oxidanylidene-3-(thiocyanatomethyl)phthalazin-1-yl]ethanoate Openeye Name: ethyl 2-[4-oxo-3-(thiocyanatomethyl)phthalazin-1-yl]acetate CAS Name: 2-[4-oxo-3-(thiocyanatomethyl)-1-phthalazinyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-oxo-3-(thiocyanatomethyl)phthalazin-1-yl]acetate Traditional Name: 2-[4-keto-3-(thiocyanatomethyl)phthalazin-1-yl]acetic acid ethyl ester Formula: C14H13N3O3S MolecularWeight: 303.33632

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=NN(C(=O)C2=CC=CC=C21)CSC#N

Isomeric SMILES

CCOC(=O)CC1=NN(C(=O)C2=CC=CC=C21)CSC#N

InChI

InChI=1S/C14H13N3O3S/c1-2-20-13(18)7-12-10-5-3-4-6-11(10)14(19)17(16-12)9-21-8-15/h3-6H,2,7,9H2,1H3