2-(1,3-benzothiazol-2-yl)-4-(1-pyrrolidin-1-ylethylidene)-5-(trifluoromethyl)pyrazol-3-one

Systemtic Name: 2-(1,3-benzothiazol-2-yl)-4-(1-pyrrolidin-1-ylethylidene)-5-(trifluoromethyl)pyrazol-3-one Openeye Name: 2-(1,3-benzothiazol-2-yl)-4-(1-pyrrolidin-1-ylethylidene)-5-(trifluoromethyl)pyrazol-3-one CAS Name: 2-(1,3-benzothiazol-2-yl)-4-[1-(1-pyrrolidinyl)ethylidene]-5-(trifluoromethyl)-3-pyrazolone IUPAC Name: 2-(1,3-benzothiazol-2-yl)-4-(1-pyrrolidin-1-ylethylidene)-5-(trifluoromethyl)pyrazol-3-one Traditional Name: 2-(1,3-benzothiazol-2-yl)-4-(1-pyrrolidinoethylidene)-5-(trifluoromethyl)-2-pyrazolin-3-one Formula: C17H15F3N4OS MolecularWeight: 380.38741

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=C1C(=NN(C1=O)C2=NC3=CC=CC=C3S2)C(F)(F)F)N4CCCC4

Isomeric SMILES

CC(=C1C(=NN(C1=O)C2=NC3=CC=CC=C3S2)C(F)(F)F)N4CCCC4

InChI

InChI=1S/C17H15F3N4OS/c1-10(23-8-4-5-9-23)13-14(17(18,19)20)22-24(15(13)25)16-21-11-6-2-3-7-12(11)26-16/h2-3,6-7H,4-5,8-9H2,1H3