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

Systemtic Name: ethyl 2-[3-(2-azanyl-2-sulfanylidene-ethyl)-4-oxidanylidene-phthalazin-1-yl]ethanoate Openeye Name: ethyl 2-[3-(2-amino-2-thioxo-ethyl)-4-oxo-phthalazin-1-yl]acetate CAS Name: 2-[3-(2-amino-2-sulfanylideneethyl)-4-oxo-1-phthalazinyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[3-(2-amino-2-sulfanylideneethyl)-4-oxophthalazin-1-yl]acetate Traditional Name: 2-[3-(2-amino-2-thioxo-ethyl)-4-keto-phthalazin-1-yl]acetic acid ethyl ester Formula: C14H15N3O3S MolecularWeight: 305.3522

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H15N3O3S/c1-2-20-13(18)7-11-9-5-3-4-6-10(9)14(19)17(16-11)8-12(15)21/h3-6H,2,7-8H2,1H3,(H2,15,21)