2-(1,3-benzothiazol-2-yl)-4-(C-ethyl-N-propyl-carbonimidoyl)-5-(trifluoromethyl)-4H-pyrazol-3-one

Systemtic Name: 2-(1,3-benzothiazol-2-yl)-4-(C-ethyl-N-propyl-carbonimidoyl)-5-(trifluoromethyl)-4H-pyrazol-3-one Openeye Name: 2-(1,3-benzothiazol-2-yl)-4-(C-ethyl-N-propyl-carbonimidoyl)-5-(trifluoromethyl)-4H-pyrazol-3-one CAS Name: 2-(1,3-benzothiazol-2-yl)-4-(1-propyliminopropyl)-5-(trifluoromethyl)-4H-pyrazol-3-one IUPAC Name: 2-(1,3-benzothiazol-2-yl)-4-(C-ethyl-N-propylcarbonimidoyl)-5-(trifluoromethyl)-4H-pyrazol-3-one Traditional Name: 2-(1,3-benzothiazol-2-yl)-4-(C-ethyl-N-propyl-carbonimidoyl)-5-(trifluoromethyl)-2-pyrazolin-3-one Formula: C17H17F3N4OS MolecularWeight: 382.40329

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Descriptors Computed from Structure

Canonical SMILES:

CCCN=C(CC)C1C(=NN(C1=O)C2=NC3=CC=CC=C3S2)C(F)(F)F

Isomeric SMILES

CCCN=C(CC)C1C(=NN(C1=O)C2=NC3=CC=CC=C3S2)C(F)(F)F

InChI

InChI=1S/C17H17F3N4OS/c1-3-9-21-10(4-2)13-14(17(18,19)20)23-24(15(13)25)16-22-11-7-5-6-8-12(11)26-16/h5-8,13H,3-4,9H2,1-2H3