6-methyl-2-[3-(4-nitrophenyl)-5-(trifluoromethyl)pyrazol-1-yl]-1,3-benzothiazole

Systemtic Name: 6-methyl-2-[3-(4-nitrophenyl)-5-(trifluoromethyl)pyrazol-1-yl]-1,3-benzothiazole Openeye Name: 6-methyl-2-[3-(4-nitrophenyl)-5-(trifluoromethyl)pyrazol-1-yl]-1,3-benzothiazole CAS Name: 6-methyl-2-[3-(4-nitrophenyl)-5-(trifluoromethyl)-1-pyrazolyl]-1,3-benzothiazole IUPAC Name: 6-methyl-2-[3-(4-nitrophenyl)-5-(trifluoromethyl)pyrazol-1-yl]-1,3-benzothiazole Traditional Name: 6-methyl-2-[3-(4-nitrophenyl)-5-(trifluoromethyl)pyrazol-1-yl]-1,3-benzothiazole Formula: C18H11F3N4O2S MolecularWeight: 404.36575

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

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

InChI

InChI=1S/C18H11F3N4O2S/c1-10-2-7-13-15(8-10)28-17(22-13)24-16(18(19,20)21)9-14(23-24)11-3-5-12(6-4-11)25(26)27/h2-9H,1H3