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

Systemtic Name: methyl 4-[[5-[(3-methyl-4-oxidanylidene-phthalazin-1-yl)carbonylamino]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzoate Openeye Name: methyl 4-[[5-[(3-methyl-4-oxo-phthalazine-1-carbonyl)amino]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzoate CAS Name: 4-[[[5-[[(3-methyl-4-oxo-1-phthalazinyl)-oxomethyl]amino]-1,3,4-thiadiazol-2-yl]thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[5-[(3-methyl-4-oxophthalazine-1-carbonyl)amino]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzoate Traditional Name: 4-[[[5-[(4-keto-3-methyl-phthalazine-1-carbonyl)amino]-1,3,4-thiadiazol-2-yl]thio]methyl]benzoic acid methyl ester Formula: C21H17N5O4S2 MolecularWeight: 467.52078

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=NN=C(S3)SCC4=CC=C(C=C4)C(=O)OC

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=NN=C(S3)SCC4=CC=C(C=C4)C(=O)OC

InChI

InChI=1S/C21H17N5O4S2/c1-26-18(28)15-6-4-3-5-14(15)16(25-26)17(27)22-20-23-24-21(32-20)31-11-12-7-9-13(10-8-12)19(29)30-2/h3-10H,11H2,1-2H3,(H,22,23,27)