(4S)-2-(1,3-benzothiazol-2-yl)-4-(propyliminomethyl)-5-(trifluoromethyl)-4H-pyrazol-3-one

Systemtic Name: (4S)-2-(1,3-benzothiazol-2-yl)-4-(propyliminomethyl)-5-(trifluoromethyl)-4H-pyrazol-3-one Openeye Name: (4S)-2-(1,3-benzothiazol-2-yl)-4-(propyliminomethyl)-5-(trifluoromethyl)-4H-pyrazol-3-one CAS Name: (4S)-2-(1,3-benzothiazol-2-yl)-4-(propyliminomethyl)-5-(trifluoromethyl)-4H-pyrazol-3-one IUPAC Name: (4S)-2-(1,3-benzothiazol-2-yl)-4-(propyliminomethyl)-5-(trifluoromethyl)-4H-pyrazol-3-one Traditional Name: (4S)-2-(1,3-benzothiazol-2-yl)-4-(propyliminomethyl)-5-(trifluoromethyl)-2-pyrazolin-3-one Formula: C15H13F3N4OS MolecularWeight: 354.35013

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Descriptors Computed from Structure

Canonical SMILES:

CCCN=CC1C(=NN(C1=O)C2=NC3=CC=CC=C3S2)C(F)(F)F

Isomeric SMILES

CCCN=C[C@H]1C(=NN(C1=O)C2=NC3=CC=CC=C3S2)C(F)(F)F

InChI

InChI=1S/C15H13F3N4OS/c1-2-7-19-8-9-12(15(16,17)18)21-22(13(9)23)14-20-10-5-3-4-6-11(10)24-14/h3-6,8-9H,2,7H2,1H3/t9-/m0/s1