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

Systemtic Name: 2-(1,3-benzothiazol-2-yl)-4-(N-cyclopentyl-C-methyl-carbonimidoyl)-5-(trifluoromethyl)-4H-pyrazol-3-one Openeye Name: 2-(1,3-benzothiazol-2-yl)-4-(N-cyclopentyl-C-methyl-carbonimidoyl)-5-(trifluoromethyl)-4H-pyrazol-3-one CAS Name: 2-(1,3-benzothiazol-2-yl)-4-(1-cyclopentyliminoethyl)-5-(trifluoromethyl)-4H-pyrazol-3-one IUPAC Name: 2-(1,3-benzothiazol-2-yl)-4-(N-cyclopentyl-C-methylcarbonimidoyl)-5-(trifluoromethyl)-4H-pyrazol-3-one Traditional Name: 2-(1,3-benzothiazol-2-yl)-4-(N-cyclopentyl-C-methyl-carbonimidoyl)-5-(trifluoromethyl)-2-pyrazolin-3-one Formula: C18H17F3N4OS MolecularWeight: 394.41399

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NC1CCCC1)C2C(=NN(C2=O)C3=NC4=CC=CC=C4S3)C(F)(F)F

Isomeric SMILES

CC(=NC1CCCC1)C2C(=NN(C2=O)C3=NC4=CC=CC=C4S3)C(F)(F)F

InChI

InChI=1S/C18H17F3N4OS/c1-10(22-11-6-2-3-7-11)14-15(18(19,20)21)24-25(16(14)26)17-23-12-8-4-5-9-13(12)27-17/h4-5,8-9,11,14H,2-3,6-7H2,1H3