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

Systemtic Name: 2-(1,3-benzothiazol-2-yl)-4-(3-methylbutyliminomethyl)-5-(trifluoromethyl)-4H-pyrazol-3-one Openeye Name: 2-(1,3-benzothiazol-2-yl)-4-(isopentyliminomethyl)-5-(trifluoromethyl)-4H-pyrazol-3-one CAS Name: 2-(1,3-benzothiazol-2-yl)-4-(3-methylbutyliminomethyl)-5-(trifluoromethyl)-4H-pyrazol-3-one IUPAC Name: 2-(1,3-benzothiazol-2-yl)-4-(3-methylbutyliminomethyl)-5-(trifluoromethyl)-4H-pyrazol-3-one Traditional Name: 2-(1,3-benzothiazol-2-yl)-4-(isoamyliminomethyl)-5-(trifluoromethyl)-2-pyrazolin-3-one Formula: C17H17F3N4OS MolecularWeight: 382.40329

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17F3N4OS/c1-10(2)7-8-21-9-11-14(17(18,19)20)23-24(15(11)25)16-22-12-5-3-4-6-13(12)26-16/h3-6,9-11H,7-8H2,1-2H3