3-(4-nitrophenyl)-6-[[4-(trifluoromethyl)phenyl]methylsulfanyl]pyridazine

Systemtic Name: 3-(4-nitrophenyl)-6-[[4-(trifluoromethyl)phenyl]methylsulfanyl]pyridazine Openeye Name: 3-(4-nitrophenyl)-6-[[4-(trifluoromethyl)phenyl]methylsulfanyl]pyridazine CAS Name: 3-(4-nitrophenyl)-6-[[4-(trifluoromethyl)phenyl]methylthio]pyridazine IUPAC Name: 3-(4-nitrophenyl)-6-[[4-(trifluoromethyl)phenyl]methylsulfanyl]pyridazine Traditional Name: 3-(4-nitrophenyl)-6-[[4-(trifluoromethyl)benzyl]thio]pyridazine Formula: C18H12F3N3O2S MolecularWeight: 391.36699

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CSC2=NN=C(C=C2)C3=CC=C(C=C3)[N+](=O)[O-])C(F)(F)F

Isomeric SMILES

C1=CC(=CC=C1CSC2=NN=C(C=C2)C3=CC=C(C=C3)[N+](=O)[O-])C(F)(F)F

InChI

InChI=1S/C18H12F3N3O2S/c19-18(20,21)14-5-1-12(2-6-14)11-27-17-10-9-16(22-23-17)13-3-7-15(8-4-13)24(25)26/h1-10H,11H2