N-(1,3-benzothiazol-2-ylmethyl)-6-methyl-4-oxidanylidene-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide

Systemtic Name: N-(1,3-benzothiazol-2-ylmethyl)-6-methyl-4-oxidanylidene-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide Openeye Name: N-(1,3-benzothiazol-2-ylmethyl)-6-methyl-4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide CAS Name: N-(1,3-benzothiazol-2-ylmethyl)-6-methyl-4-oxo-1-[3-(trifluoromethyl)phenyl]-3-pyridazinecarboxamide IUPAC Name: N-(1,3-benzothiazol-2-ylmethyl)-6-methyl-4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide Traditional Name: N-(1,3-benzothiazol-2-ylmethyl)-4-keto-6-methyl-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide Formula: C21H15F3N4O2S MolecularWeight: 444.42961

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)C(=NN1C2=CC=CC(=C2)C(F)(F)F)C(=O)NCC3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=CC(=O)C(=NN1C2=CC=CC(=C2)C(F)(F)F)C(=O)NCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H15F3N4O2S/c1-12-9-16(29)19(27-28(12)14-6-4-5-13(10-14)21(22,23)24)20(30)25-11-18-26-15-7-2-3-8-17(15)31-18/h2-10H,11H2,1H3,(H,25,30)