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

Systemtic Name: methyl 4-[[5-[(4-oxidanylidene-3-phenyl-phthalazin-1-yl)carbonylamino]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzoate Openeye Name: methyl 4-[[5-[(4-oxo-3-phenyl-phthalazine-1-carbonyl)amino]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzoate CAS Name: 4-[[[5-[[oxo-(4-oxo-3-phenyl-1-phthalazinyl)methyl]amino]-1,3,4-thiadiazol-2-yl]thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[5-[(4-oxo-3-phenylphthalazine-1-carbonyl)amino]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzoate Traditional Name: 4-[[[5-[(4-keto-3-phenyl-phthalazine-1-carbonyl)amino]-1,3,4-thiadiazol-2-yl]thio]methyl]benzoic acid methyl ester Formula: C26H19N5O4S2 MolecularWeight: 529.59016

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CSC2=NN=C(S2)NC(=O)C3=NN(C(=O)C4=CC=CC=C43)C5=CC=CC=C5

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CSC2=NN=C(S2)NC(=O)C3=NN(C(=O)C4=CC=CC=C43)C5=CC=CC=C5

InChI

InChI=1S/C26H19N5O4S2/c1-35-24(34)17-13-11-16(12-14-17)15-36-26-29-28-25(37-26)27-22(32)21-19-9-5-6-10-20(19)23(33)31(30-21)18-7-3-2-4-8-18/h2-14H,15H2,1H3,(H,27,28,32)