2-(1,3-benzothiazol-2-yl)-4-[(furan-2-ylmethylamino)methylidene]-5-(4-methoxyphenyl)pyrazol-3-one

Systemtic Name: 2-(1,3-benzothiazol-2-yl)-4-[(furan-2-ylmethylamino)methylidene]-5-(4-methoxyphenyl)pyrazol-3-one Openeye Name: 2-(1,3-benzothiazol-2-yl)-4-[(2-furylmethylamino)methylene]-5-(4-methoxyphenyl)pyrazol-3-one CAS Name: 2-(1,3-benzothiazol-2-yl)-4-[(2-furanylmethylamino)methylidene]-5-(4-methoxyphenyl)-3-pyrazolone IUPAC Name: 2-(1,3-benzothiazol-2-yl)-4-[(furan-2-ylmethylamino)methylidene]-5-(4-methoxyphenyl)pyrazol-3-one Traditional Name: 2-(1,3-benzothiazol-2-yl)-4-[(2-furfurylamino)methylene]-5-(4-methoxyphenyl)-2-pyrazolin-3-one Formula: C23H18N4O3S MolecularWeight: 430.47902

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN(C(=O)C2=CNCC3=CC=CO3)C4=NC5=CC=CC=C5S4

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN(C(=O)C2=CNCC3=CC=CO3)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C23H18N4O3S/c1-29-16-10-8-15(9-11-16)21-18(14-24-13-17-5-4-12-30-17)22(28)27(26-21)23-25-19-6-2-3-7-20(19)31-23/h2-12,14,24H,13H2,1H3