2-[[5-[[1-oxidanylidene-4-(phenylmethyl)phthalazin-2-yl]methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid

Systemtic Name: 2-[[5-[[1-oxidanylidene-4-(phenylmethyl)phthalazin-2-yl]methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[5-[(4-benzyl-1-oxo-phthalazin-2-yl)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid CAS Name: 2-[[5-[[1-oxo-4-(phenylmethyl)-2-phthalazinyl]methyl]-4-phenyl-1,2,4-triazol-3-yl]thio]acetic acid IUPAC Name: 2-[[5-[(4-benzyl-1-oxophthalazin-2-yl)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid Traditional Name: 2-[[5-[(4-benzyl-1-keto-phthalazin-2-yl)methyl]-4-phenyl-1,2,4-triazol-3-yl]thio]acetic acid Formula: C26H21N5O3S MolecularWeight: 483.54164

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=NN(C(=O)C3=CC=CC=C32)CC4=NN=C(N4C5=CC=CC=C5)SCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CC2=NN(C(=O)C3=CC=CC=C32)CC4=NN=C(N4C5=CC=CC=C5)SCC(=O)O

InChI

InChI=1S/C26H21N5O3S/c32-24(33)17-35-26-28-27-23(31(26)19-11-5-2-6-12-19)16-30-25(34)21-14-8-7-13-20(21)22(29-30)15-18-9-3-1-4-10-18/h1-14H,15-17H2,(H,32,33)