(4E)-2-(1,3-benzothiazol-2-yl)-4-[(heptylamino)methylidene]-5-phenyl-pyrazol-3-one

Systemtic Name: (4E)-2-(1,3-benzothiazol-2-yl)-4-[(heptylamino)methylidene]-5-phenyl-pyrazol-3-one Openeye Name: (4E)-2-(1,3-benzothiazol-2-yl)-4-[(heptylamino)methylene]-5-phenyl-pyrazol-3-one CAS Name: (4E)-2-(1,3-benzothiazol-2-yl)-4-[(heptylamino)methylidene]-5-phenyl-3-pyrazolone IUPAC Name: (4E)-2-(1,3-benzothiazol-2-yl)-4-[(heptylamino)methylidene]-5-phenylpyrazol-3-one Traditional Name: (4E)-2-(1,3-benzothiazol-2-yl)-4-[(heptylamino)methylene]-5-phenyl-2-pyrazolin-3-one Formula: C24H26N4OS MolecularWeight: 418.55444

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCNC=C1C(=NN(C1=O)C2=NC3=CC=CC=C3S2)C4=CC=CC=C4

Isomeric SMILES

CCCCCCCN/C=C/1\C(=NN(C1=O)C2=NC3=CC=CC=C3S2)C4=CC=CC=C4

InChI

InChI=1S/C24H26N4OS/c1-2-3-4-5-11-16-25-17-19-22(18-12-7-6-8-13-18)27-28(23(19)29)24-26-20-14-9-10-15-21(20)30-24/h6-10,12-15,17,25H,2-5,11,16H2,1H3/b19-17+