2-(1,3-benzothiazol-2-yl)-4-(N-cyclohexyl-C-methyl-carbonimidoyl)-5-(trifluoromethyl)-4H-pyrazol-3-one

Systemtic Name: 2-(1,3-benzothiazol-2-yl)-4-(N-cyclohexyl-C-methyl-carbonimidoyl)-5-(trifluoromethyl)-4H-pyrazol-3-one Openeye Name: 2-(1,3-benzothiazol-2-yl)-4-(N-cyclohexyl-C-methyl-carbonimidoyl)-5-(trifluoromethyl)-4H-pyrazol-3-one CAS Name: 2-(1,3-benzothiazol-2-yl)-4-(1-cyclohexyliminoethyl)-5-(trifluoromethyl)-4H-pyrazol-3-one IUPAC Name: 2-(1,3-benzothiazol-2-yl)-4-(N-cyclohexyl-C-methylcarbonimidoyl)-5-(trifluoromethyl)-4H-pyrazol-3-one Traditional Name: 2-(1,3-benzothiazol-2-yl)-4-(N-cyclohexyl-C-methyl-carbonimidoyl)-5-(trifluoromethyl)-2-pyrazolin-3-one Formula: C19H19F3N4OS MolecularWeight: 408.44057

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NC1CCCCC1)C2C(=NN(C2=O)C3=NC4=CC=CC=C4S3)C(F)(F)F

Isomeric SMILES

CC(=NC1CCCCC1)C2C(=NN(C2=O)C3=NC4=CC=CC=C4S3)C(F)(F)F

InChI

InChI=1S/C19H19F3N4OS/c1-11(23-12-7-3-2-4-8-12)15-16(19(20,21)22)25-26(17(15)27)18-24-13-9-5-6-10-14(13)28-18/h5-6,9-10,12,15H,2-4,7-8H2,1H3