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

Systemtic Name: 2-(1,3-benzothiazol-2-yl)-4-[[3-(dimethylamino)propylamino]methylidene]-5-phenyl-pyrazol-3-one Openeye Name: 2-(1,3-benzothiazol-2-yl)-4-[[3-(dimethylamino)propylamino]methylene]-5-phenyl-pyrazol-3-one CAS Name: 2-(1,3-benzothiazol-2-yl)-4-[[3-(dimethylamino)propylamino]methylidene]-5-phenyl-3-pyrazolone IUPAC Name: 2-(1,3-benzothiazol-2-yl)-4-[[3-(dimethylamino)propylamino]methylidene]-5-phenylpyrazol-3-one Traditional Name: 2-(1,3-benzothiazol-2-yl)-4-[[3-(dimethylamino)propylamino]methylene]-5-phenyl-2-pyrazolin-3-one Formula: C22H23N5OS MolecularWeight: 405.51592

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCNC=C1C(=NN(C1=O)C2=NC3=CC=CC=C3S2)C4=CC=CC=C4

Isomeric SMILES

CN(C)CCCNC=C1C(=NN(C1=O)C2=NC3=CC=CC=C3S2)C4=CC=CC=C4

InChI

InChI=1S/C22H23N5OS/c1-26(2)14-8-13-23-15-17-20(16-9-4-3-5-10-16)25-27(21(17)28)22-24-18-11-6-7-12-19(18)29-22/h3-7,9-12,15,23H,8,13-14H2,1-2H3