8-[[4-[2-oxidanylidene-2-[(5-oxidanylidene-1-phenyl-4H-pyrazol-3-yl)amino]ethyl]sulfanylphenyl]carbamoyl]naphthalene-1-carboxylic acid

Systemtic Name: 8-[[4-[2-oxidanylidene-2-[(5-oxidanylidene-1-phenyl-4H-pyrazol-3-yl)amino]ethyl]sulfanylphenyl]carbamoyl]naphthalene-1-carboxylic acid Openeye Name: 8-[[4-[2-oxo-2-[(5-oxo-1-phenyl-4H-pyrazol-3-yl)amino]ethyl]sulfanylphenyl]carbamoyl]naphthalene-1-carboxylic acid CAS Name: 8-[oxo-[4-[[2-oxo-2-[(5-oxo-1-phenyl-4H-pyrazol-3-yl)amino]ethyl]thio]anilino]methyl]-1-naphthalenecarboxylic acid IUPAC Name: 8-[[4-[2-oxo-2-[(5-oxo-1-phenyl-4H-pyrazol-3-yl)amino]ethyl]sulfanylphenyl]carbamoyl]naphthalene-1-carboxylic acid Traditional Name: 8-[[4-[[2-keto-2-[(5-keto-1-phenyl-2-pyrazolin-3-yl)amino]ethyl]thio]phenyl]carbamoyl]-1-naphthoic acid Formula: C29H22N4O5S MolecularWeight: 538.57378

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=NN(C1=O)C2=CC=CC=C2)NC(=O)CSC3=CC=C(C=C3)NC(=O)C4=CC=CC5=C4C(=CC=C5)C(=O)O

Isomeric SMILES

C1C(=NN(C1=O)C2=CC=CC=C2)NC(=O)CSC3=CC=C(C=C3)NC(=O)C4=CC=CC5=C4C(=CC=C5)C(=O)O

InChI

InChI=1S/C29H22N4O5S/c34-25(31-24-16-26(35)33(32-24)20-8-2-1-3-9-20)17-39-21-14-12-19(13-15-21)30-28(36)22-10-4-6-18-7-5-11-23(27(18)22)29(37)38/h1-15H,16-17H2,(H,30,36)(H,37,38)(H,31,32,34)