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

Systemtic Name: ethyl 2-[[5-[(4-oxidanylidene-3-pentyl-phthalazin-1-yl)carbonylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]ethanoate Openeye Name: ethyl 2-[[5-[(4-oxo-3-pentyl-phthalazine-1-carbonyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetate CAS Name: 2-[[5-[[oxo-(4-oxo-3-pentyl-1-phthalazinyl)methyl]amino]-1,3,4-thiadiazol-2-yl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[[5-[(4-oxo-3-pentylphthalazine-1-carbonyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetate Traditional Name: 2-[[5-[(3-amyl-4-keto-phthalazine-1-carbonyl)amino]-1,3,4-thiadiazol-2-yl]thio]acetic acid ethyl ester Formula: C20H23N5O4S2 MolecularWeight: 461.55772

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=NN=C(S3)SCC(=O)OCC

Isomeric SMILES

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=NN=C(S3)SCC(=O)OCC

InChI

InChI=1S/C20H23N5O4S2/c1-3-5-8-11-25-18(28)14-10-7-6-9-13(14)16(24-25)17(27)21-19-22-23-20(31-19)30-12-15(26)29-4-2/h6-7,9-10H,3-5,8,11-12H2,1-2H3,(H,21,22,27)