4-[[(6-ethoxy-1,3-benzothiazol-2-yl)amino]methylidene]-2-(4-iodophenyl)-5-methyl-pyrazol-3-one

Systemtic Name: 4-[[(6-ethoxy-1,3-benzothiazol-2-yl)amino]methylidene]-2-(4-iodophenyl)-5-methyl-pyrazol-3-one Openeye Name: 4-[[(6-ethoxy-1,3-benzothiazol-2-yl)amino]methylene]-2-(4-iodophenyl)-5-methyl-pyrazol-3-one CAS Name: 4-[[(6-ethoxy-1,3-benzothiazol-2-yl)amino]methylidene]-2-(4-iodophenyl)-5-methyl-3-pyrazolone IUPAC Name: 4-[[(6-ethoxy-1,3-benzothiazol-2-yl)amino]methylidene]-2-(4-iodophenyl)-5-methylpyrazol-3-one Traditional Name: 4-[[(6-ethoxy-1,3-benzothiazol-2-yl)amino]methylene]-2-(4-iodophenyl)-5-methyl-2-pyrazolin-3-one Formula: C20H17IN4O2S MolecularWeight: 504.34405

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(S2)NC=C3C(=NN(C3=O)C4=CC=C(C=C4)I)C

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)NC=C3C(=NN(C3=O)C4=CC=C(C=C4)I)C

InChI

InChI=1S/C20H17IN4O2S/c1-3-27-15-8-9-17-18(10-15)28-20(23-17)22-11-16-12(2)24-25(19(16)26)14-6-4-13(21)5-7-14/h4-11H,3H2,1-2H3,(H,22,23)