2-(1,3-benzothiazol-2-yl)-4-[(cyclopentylamino)methylidene]-5-(trifluoromethyl)pyrazol-3-one

Systemtic Name: 2-(1,3-benzothiazol-2-yl)-4-[(cyclopentylamino)methylidene]-5-(trifluoromethyl)pyrazol-3-one Openeye Name: 2-(1,3-benzothiazol-2-yl)-4-[(cyclopentylamino)methylene]-5-(trifluoromethyl)pyrazol-3-one CAS Name: 2-(1,3-benzothiazol-2-yl)-4-[(cyclopentylamino)methylidene]-5-(trifluoromethyl)-3-pyrazolone IUPAC Name: 2-(1,3-benzothiazol-2-yl)-4-[(cyclopentylamino)methylidene]-5-(trifluoromethyl)pyrazol-3-one Traditional Name: 2-(1,3-benzothiazol-2-yl)-4-[(cyclopentylamino)methylene]-5-(trifluoromethyl)-2-pyrazolin-3-one Formula: C17H15F3N4OS MolecularWeight: 380.38741

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)NC=C2C(=NN(C2=O)C3=NC4=CC=CC=C4S3)C(F)(F)F

Isomeric SMILES

C1CCC(C1)NC=C2C(=NN(C2=O)C3=NC4=CC=CC=C4S3)C(F)(F)F

InChI

InChI=1S/C17H15F3N4OS/c18-17(19,20)14-11(9-21-10-5-1-2-6-10)15(25)24(23-14)16-22-12-7-3-4-8-13(12)26-16/h3-4,7-10,21H,1-2,5-6H2