2-(6-methyl-1,3-benzothiazol-2-yl)-5-(4-nitrophenyl)-3-(trifluoromethyl)-4H-pyrazol-3-ol

Systemtic Name: 2-(6-methyl-1,3-benzothiazol-2-yl)-5-(4-nitrophenyl)-3-(trifluoromethyl)-4H-pyrazol-3-ol Openeye Name: 2-(6-methyl-1,3-benzothiazol-2-yl)-5-(4-nitrophenyl)-3-(trifluoromethyl)-4H-pyrazol-3-ol CAS Name: 2-(6-methyl-1,3-benzothiazol-2-yl)-5-(4-nitrophenyl)-3-(trifluoromethyl)-4H-pyrazol-3-ol IUPAC Name: 2-(6-methyl-1,3-benzothiazol-2-yl)-5-(4-nitrophenyl)-3-(trifluoromethyl)-4H-pyrazol-3-ol Traditional Name: 2-(6-methyl-1,3-benzothiazol-2-yl)-5-(4-nitrophenyl)-3-(trifluoromethyl)-2-pyrazolin-3-ol Formula: C18H13F3N4O3S MolecularWeight: 422.38103

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)N3C(CC(=N3)C4=CC=C(C=C4)[N+](=O)[O-])(C(F)(F)F)O

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)N3C(CC(=N3)C4=CC=C(C=C4)[N+](=O)[O-])(C(F)(F)F)O

InChI

InChI=1S/C18H13F3N4O3S/c1-10-2-7-13-15(8-10)29-16(22-13)24-17(26,18(19,20)21)9-14(23-24)11-3-5-12(6-4-11)25(27)28/h2-8,26H,9H2,1H3