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

Systemtic Name: 2-(1,3-benzothiazol-2-yl)-4-[(cyclooctylamino)methylidene]-5-(trifluoromethyl)pyrazol-3-one Openeye Name: 2-(1,3-benzothiazol-2-yl)-4-[(cyclooctylamino)methylene]-5-(trifluoromethyl)pyrazol-3-one CAS Name: 2-(1,3-benzothiazol-2-yl)-4-[(cyclooctylamino)methylidene]-5-(trifluoromethyl)-3-pyrazolone IUPAC Name: 2-(1,3-benzothiazol-2-yl)-4-[(cyclooctylamino)methylidene]-5-(trifluoromethyl)pyrazol-3-one Traditional Name: 2-(1,3-benzothiazol-2-yl)-4-[(cyclooctylamino)methylene]-5-(trifluoromethyl)-2-pyrazolin-3-one Formula: C20H21F3N4OS MolecularWeight: 422.46715

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CCC1)NC=C2C(=NN(C2=O)C3=NC4=CC=CC=C4S3)C(F)(F)F

Isomeric SMILES

C1CCCC(CCC1)NC=C2C(=NN(C2=O)C3=NC4=CC=CC=C4S3)C(F)(F)F

InChI

InChI=1S/C20H21F3N4OS/c21-20(22,23)17-14(12-24-13-8-4-2-1-3-5-9-13)18(28)27(26-17)19-25-15-10-6-7-11-16(15)29-19/h6-7,10-13,24H,1-5,8-9H2