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

Systemtic Name: 2-(3,4-dimethylphenyl)-4-[[(6-ethoxy-1,3-benzothiazol-2-yl)amino]methylidene]-5-methyl-pyrazol-3-one Openeye Name: 2-(3,4-dimethylphenyl)-4-[[(6-ethoxy-1,3-benzothiazol-2-yl)amino]methylene]-5-methyl-pyrazol-3-one CAS Name: 2-(3,4-dimethylphenyl)-4-[[(6-ethoxy-1,3-benzothiazol-2-yl)amino]methylidene]-5-methyl-3-pyrazolone IUPAC Name: 2-(3,4-dimethylphenyl)-4-[[(6-ethoxy-1,3-benzothiazol-2-yl)amino]methylidene]-5-methylpyrazol-3-one Traditional Name: 2-(3,4-dimethylphenyl)-4-[[(6-ethoxy-1,3-benzothiazol-2-yl)amino]methylene]-5-methyl-2-pyrazolin-3-one Formula: C22H22N4O2S MolecularWeight: 406.50068

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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)C)C)C

Isomeric SMILES

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

InChI

InChI=1S/C22H22N4O2S/c1-5-28-17-8-9-19-20(11-17)29-22(24-19)23-12-18-15(4)25-26(21(18)27)16-7-6-13(2)14(3)10-16/h6-12H,5H2,1-4H3,(H,23,24)