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

Systemtic Name: ethyl 2-[[5-[(4-oxidanylidene-3-propyl-phthalazin-1-yl)carbonylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]ethanoate Openeye Name: ethyl 2-[[5-[(4-oxo-3-propyl-phthalazine-1-carbonyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetate CAS Name: 2-[[5-[[oxo-(4-oxo-3-propyl-1-phthalazinyl)methyl]amino]-1,3,4-thiadiazol-2-yl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[[5-[(4-oxo-3-propylphthalazine-1-carbonyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetate Traditional Name: 2-[[5-[(4-keto-3-propyl-phthalazine-1-carbonyl)amino]-1,3,4-thiadiazol-2-yl]thio]acetic acid ethyl ester Formula: C18H19N5O4S2 MolecularWeight: 433.50456

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=NN=C(S3)SCC(=O)OCC

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=NN=C(S3)SCC(=O)OCC

InChI

InChI=1S/C18H19N5O4S2/c1-3-9-23-16(26)12-8-6-5-7-11(12)14(22-23)15(25)19-17-20-21-18(29-17)28-10-13(24)27-4-2/h5-8H,3-4,9-10H2,1-2H3,(H,19,20,25)