4-[(4E)-4-[4-(3-ethyl-1,3-benzoxazol-2-ylidene)but-3-en-2-ylidene]-3-methyl-5-oxidanylidene-pyrazol-1-yl]benzenesulfonic acid

Systemtic Name: 4-[(4E)-4-[4-(3-ethyl-1,3-benzoxazol-2-ylidene)but-3-en-2-ylidene]-3-methyl-5-oxidanylidene-pyrazol-1-yl]benzenesulfonic acid Openeye Name: 4-[(4E)-4-[3-(3-ethyl-1,3-benzoxazol-2-ylidene)-1-methyl-prop-2-enylidene]-3-methyl-5-oxo-pyrazol-1-yl]benzenesulfonic acid CAS Name: 4-[(4E)-4-[4-(3-ethyl-1,3-benzoxazol-2-ylidene)but-3-en-2-ylidene]-3-methyl-5-oxo-1-pyrazolyl]benzenesulfonic acid IUPAC Name: 4-[(4E)-4-[4-(3-ethyl-1,3-benzoxazol-2-ylidene)but-3-en-2-ylidene]-3-methyl-5-oxopyrazol-1-yl]benzenesulfonic acid Traditional Name: 4-[(4E)-4-[3-(3-ethyl-1,3-benzoxazol-2-ylidene)-1-methyl-prop-2-enylidene]-5-keto-3-methyl-2-pyrazolin-1-yl]besylic acid Formula: C23H21N3O5S MolecularWeight: 451.49494

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC=CC=C2OC1=C=CC(=C3C(=NN(C3=O)C4=CC=C(C=C4)S(=O)(=O)O)C)C

Isomeric SMILES

CCN1C2=CC=CC=C2OC1=C=C/C(=C/3\C(=NN(C3=O)C4=CC=C(C=C4)S(=O)(=O)O)C)/C

InChI

InChI=1S/C23H21N3O5S/c1-4-25-19-7-5-6-8-20(19)31-21(25)14-9-15(2)22-16(3)24-26(23(22)27)17-10-12-18(13-11-17)32(28,29)30/h5-13H,4H2,1-3H3,(H,28,29,30)/b22-15+