2-[[1-(2-methoxyphenyl)-5-nitro-benzimidazol-2-yl]sulfanylmethyl]-1,3-benzothiazole

Systemtic Name: 2-[[1-(2-methoxyphenyl)-5-nitro-benzimidazol-2-yl]sulfanylmethyl]-1,3-benzothiazole Openeye Name: 2-[[1-(2-methoxyphenyl)-5-nitro-benzimidazol-2-yl]sulfanylmethyl]-1,3-benzothiazole CAS Name: 2-[[[1-(2-methoxyphenyl)-5-nitro-2-benzimidazolyl]thio]methyl]-1,3-benzothiazole IUPAC Name: 2-[[1-(2-methoxyphenyl)-5-nitrobenzimidazol-2-yl]sulfanylmethyl]-1,3-benzothiazole Traditional Name: 2-[[[1-(2-methoxyphenyl)-5-nitro-benzimidazol-2-yl]thio]methyl]-1,3-benzothiazole Formula: C22H16N4O3S2 MolecularWeight: 448.51744

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2C3=C(C=C(C=C3)[N+](=O)[O-])N=C2SCC4=NC5=CC=CC=C5S4

Isomeric SMILES

COC1=CC=CC=C1N2C3=C(C=C(C=C3)[N+](=O)[O-])N=C2SCC4=NC5=CC=CC=C5S4

InChI

InChI=1S/C22H16N4O3S2/c1-29-19-8-4-3-7-18(19)25-17-11-10-14(26(27)28)12-16(17)24-22(25)30-13-21-23-15-6-2-5-9-20(15)31-21/h2-12H,13H2,1H3