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

Systemtic Name: 2-(1,3-benzothiazol-2-yl)-4-[[(phenylmethyl)amino]methylidene]-5-propyl-pyrazol-3-one Openeye Name: 2-(1,3-benzothiazol-2-yl)-4-[(benzylamino)methylene]-5-propyl-pyrazol-3-one CAS Name: 2-(1,3-benzothiazol-2-yl)-4-[[(phenylmethyl)amino]methylidene]-5-propyl-3-pyrazolone IUPAC Name: 2-(1,3-benzothiazol-2-yl)-4-[(benzylamino)methylidene]-5-propylpyrazol-3-one Traditional Name: 2-(1,3-benzothiazol-2-yl)-4-[(benzylamino)methylene]-5-propyl-2-pyrazolin-3-one Formula: C21H20N4OS MolecularWeight: 376.4747

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C(=O)C1=CNCC2=CC=CC=C2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CCCC1=NN(C(=O)C1=CNCC2=CC=CC=C2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H20N4OS/c1-2-8-17-16(14-22-13-15-9-4-3-5-10-15)20(26)25(24-17)21-23-18-11-6-7-12-19(18)27-21/h3-7,9-12,14,22H,2,8,13H2,1H3