ethyl 2-[[5-[(4-oxidanylidene-3H-phthalazin-1-yl)carbonylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]ethanoate

Systemtic Name: ethyl 2-[[5-[(4-oxidanylidene-3H-phthalazin-1-yl)carbonylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]ethanoate Openeye Name: ethyl 2-[[5-[(4-oxo-3H-phthalazine-1-carbonyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetate CAS Name: 2-[[5-[[oxo-(4-oxo-3H-phthalazin-1-yl)methyl]amino]-1,3,4-thiadiazol-2-yl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[[5-[(4-oxo-3H-phthalazine-1-carbonyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetate Traditional Name: 2-[[5-[(4-keto-3H-phthalazine-1-carbonyl)amino]-1,3,4-thiadiazol-2-yl]thio]acetic acid ethyl ester Formula: C15H13N5O4S2 MolecularWeight: 391.42482

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NN=C(S1)NC(=O)C2=NNC(=O)C3=CC=CC=C32

Isomeric SMILES

CCOC(=O)CSC1=NN=C(S1)NC(=O)C2=NNC(=O)C3=CC=CC=C32

InChI

InChI=1S/C15H13N5O4S2/c1-2-24-10(21)7-25-15-20-19-14(26-15)16-13(23)11-8-5-3-4-6-9(8)12(22)18-17-11/h3-6H,2,7H2,1H3,(H,18,22)(H,16,19,23)