1-(4-fluorophenyl)-5-nitro-2-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzimidazole

Systemtic Name: 1-(4-fluorophenyl)-5-nitro-2-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzimidazole Openeye Name: 1-(4-fluorophenyl)-5-nitro-2-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzimidazole CAS Name: 1-(4-fluorophenyl)-5-nitro-2-[(1H-1,2,4-triazol-5-ylthio)methyl]benzimidazole IUPAC Name: 1-(4-fluorophenyl)-5-nitro-2-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzimidazole Traditional Name: 1-(4-fluorophenyl)-5-nitro-2-[(1H-1,2,4-triazol-5-ylthio)methyl]benzimidazole Formula: C16H11FN6O2S MolecularWeight: 370.360943

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N2C3=C(C=C(C=C3)[N+](=O)[O-])N=C2CSC4=NC=NN4)F

Isomeric SMILES

C1=CC(=CC=C1N2C3=C(C=C(C=C3)[N+](=O)[O-])N=C2CSC4=NC=NN4)F

InChI

InChI=1S/C16H11FN6O2S/c17-10-1-3-11(4-2-10)22-14-6-5-12(23(24)25)7-13(14)20-15(22)8-26-16-18-9-19-21-16/h1-7,9H,8H2,(H,18,19,21)