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

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

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

Isomeric SMILES

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

InChI

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