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

Systemtic Name: (4E)-2-(1,3-benzothiazol-2-yl)-4-[(4-dimethylaminophenyl)methylidene]-5-propyl-pyrazol-3-one Openeye Name: (4E)-2-(1,3-benzothiazol-2-yl)-4-[(4-dimethylaminophenyl)methylene]-5-propyl-pyrazol-3-one CAS Name: (4E)-2-(1,3-benzothiazol-2-yl)-4-[(4-dimethylaminophenyl)methylidene]-5-propyl-3-pyrazolone IUPAC Name: (4E)-2-(1,3-benzothiazol-2-yl)-4-[(4-dimethylaminophenyl)methylidene]-5-propylpyrazol-3-one Traditional Name: (4E)-2-(1,3-benzothiazol-2-yl)-4-[4-(dimethylamino)benzylidene]-5-propyl-2-pyrazolin-3-one Formula: C22H22N4OS MolecularWeight: 390.50128

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C(=O)C1=CC2=CC=C(C=C2)N(C)C)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CCCC\1=NN(C(=O)/C1=C/C2=CC=C(C=C2)N(C)C)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C22H22N4OS/c1-4-7-18-17(14-15-10-12-16(13-11-15)25(2)3)21(27)26(24-18)22-23-19-8-5-6-9-20(19)28-22/h5-6,8-14H,4,7H2,1-3H3/b17-14+