1-[(4S)-1-(1,3-benzothiazol-2-yl)-5-oxidanylidene-3-(trifluoromethyl)-4H-pyrazol-4-yl]ethylidene-phenethyl-azanium

Systemtic Name: 1-[(4S)-1-(1,3-benzothiazol-2-yl)-5-oxidanylidene-3-(trifluoromethyl)-4H-pyrazol-4-yl]ethylidene-phenethyl-azanium Openeye Name: 1-[(4S)-1-(1,3-benzothiazol-2-yl)-5-oxo-3-(trifluoromethyl)-4H-pyrazol-4-yl]ethylidene-phenethyl-ammonium CAS Name: 1-[(4S)-1-(1,3-benzothiazol-2-yl)-5-oxo-3-(trifluoromethyl)-4H-pyrazol-4-yl]ethylidene-phenethylammonium IUPAC Name: 1-[(4S)-1-(1,3-benzothiazol-2-yl)-5-oxo-3-(trifluoromethyl)-4H-pyrazol-4-yl]ethylidene-phenethylazanium Traditional Name: 1-[(4S)-1-(1,3-benzothiazol-2-yl)-5-keto-3-(trifluoromethyl)-2-pyrazolin-4-yl]ethylidene-phenethyl-ammonium Formula: C21H18F3N4OS+ MolecularWeight: 431.45403

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Descriptors Computed from Structure

Canonical SMILES:

CC(=[NH+]CCC1=CC=CC=C1)C2C(=NN(C2=O)C3=NC4=CC=CC=C4S3)C(F)(F)F

Isomeric SMILES

CC(=[NH+]CCC1=CC=CC=C1)[C@H]2C(=NN(C2=O)C3=NC4=CC=CC=C4S3)C(F)(F)F

InChI

InChI=1S/C21H17F3N4OS/c1-13(25-12-11-14-7-3-2-4-8-14)17-18(21(22,23)24)27-28(19(17)29)20-26-15-9-5-6-10-16(15)30-20/h2-10,17H,11-12H2,1H3/p+1/t17-/m0/s1