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

Systemtic Name: (4E)-4-[[(6-ethoxy-1,3-benzothiazol-2-yl)amino]methylidene]-5-methyl-2-(3-methylphenyl)pyrazol-3-one Openeye Name: (4E)-4-[[(6-ethoxy-1,3-benzothiazol-2-yl)amino]methylene]-5-methyl-2-(m-tolyl)pyrazol-3-one CAS Name: (4E)-4-[[(6-ethoxy-1,3-benzothiazol-2-yl)amino]methylidene]-5-methyl-2-(3-methylphenyl)-3-pyrazolone IUPAC Name: (4E)-4-[[(6-ethoxy-1,3-benzothiazol-2-yl)amino]methylidene]-5-methyl-2-(3-methylphenyl)pyrazol-3-one Traditional Name: (4E)-4-[[(6-ethoxy-1,3-benzothiazol-2-yl)amino]methylene]-5-methyl-2-(m-tolyl)-2-pyrazolin-3-one Formula: C21H20N4O2S MolecularWeight: 392.4741

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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=CC(=C4)C)C

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)N/C=C/3\C(=NN(C3=O)C4=CC=CC(=C4)C)C

InChI

InChI=1S/C21H20N4O2S/c1-4-27-16-8-9-18-19(11-16)28-21(23-18)22-12-17-14(3)24-25(20(17)26)15-7-5-6-13(2)10-15/h5-12H,4H2,1-3H3,(H,22,23)/b17-12+