1-(4-fluorophenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-5-nitro-benzimidazole

Systemtic Name: 1-(4-fluorophenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-5-nitro-benzimidazole Openeye Name: 1-(4-fluorophenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-5-nitro-benzimidazole CAS Name: 1-(4-fluorophenyl)-2-[[(4-methyl-1,2,4-triazol-3-yl)thio]methyl]-5-nitrobenzimidazole IUPAC Name: 1-(4-fluorophenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-5-nitrobenzimidazole Traditional Name: 1-(4-fluorophenyl)-2-[[(4-methyl-1,2,4-triazol-3-yl)thio]methyl]-5-nitro-benzimidazole Formula: C17H13FN6O2S MolecularWeight: 384.387523

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NN=C1SCC2=NC3=C(N2C4=CC=C(C=C4)F)C=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

CN1C=NN=C1SCC2=NC3=C(N2C4=CC=C(C=C4)F)C=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H13FN6O2S/c1-22-10-19-21-17(22)27-9-16-20-14-8-13(24(25)26)6-7-15(14)23(16)12-4-2-11(18)3-5-12/h2-8,10H,9H2,1H3