methyl 4-[[5-[(4-oxidanylidene-3-propyl-phthalazin-1-yl)carbonylamino]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzoate

Systemtic Name: methyl 4-[[5-[(4-oxidanylidene-3-propyl-phthalazin-1-yl)carbonylamino]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzoate Openeye Name: methyl 4-[[5-[(4-oxo-3-propyl-phthalazine-1-carbonyl)amino]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzoate CAS Name: 4-[[[5-[[oxo-(4-oxo-3-propyl-1-phthalazinyl)methyl]amino]-1,3,4-thiadiazol-2-yl]thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[5-[(4-oxo-3-propylphthalazine-1-carbonyl)amino]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzoate Traditional Name: 4-[[[5-[(4-keto-3-propyl-phthalazine-1-carbonyl)amino]-1,3,4-thiadiazol-2-yl]thio]methyl]benzoic acid methyl ester Formula: C23H21N5O4S2 MolecularWeight: 495.57394

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=NN=C(S3)SCC4=CC=C(C=C4)C(=O)OC

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=NN=C(S3)SCC4=CC=C(C=C4)C(=O)OC

InChI

InChI=1S/C23H21N5O4S2/c1-3-12-28-20(30)17-7-5-4-6-16(17)18(27-28)19(29)24-22-25-26-23(34-22)33-13-14-8-10-15(11-9-14)21(31)32-2/h4-11H,3,12-13H2,1-2H3,(H,24,25,29)