3-[[1-(2-methoxyphenyl)-5-nitro-benzimidazol-2-yl]sulfanylmethyl]-1,2,3-benzotriazin-4-one

Systemtic Name: 3-[[1-(2-methoxyphenyl)-5-nitro-benzimidazol-2-yl]sulfanylmethyl]-1,2,3-benzotriazin-4-one Openeye Name: 3-[[1-(2-methoxyphenyl)-5-nitro-benzimidazol-2-yl]sulfanylmethyl]-1,2,3-benzotriazin-4-one CAS Name: 3-[[[1-(2-methoxyphenyl)-5-nitro-2-benzimidazolyl]thio]methyl]-1,2,3-benzotriazin-4-one IUPAC Name: 3-[[1-(2-methoxyphenyl)-5-nitrobenzimidazol-2-yl]sulfanylmethyl]-1,2,3-benzotriazin-4-one Traditional Name: 3-[[[1-(2-methoxyphenyl)-5-nitro-benzimidazol-2-yl]thio]methyl]-1,2,3-benzotriazin-4-one Formula: C22H16N6O4S MolecularWeight: 460.46524

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2C3=C(C=C(C=C3)[N+](=O)[O-])N=C2SCN4C(=O)C5=CC=CC=C5N=N4

Isomeric SMILES

COC1=CC=CC=C1N2C3=C(C=C(C=C3)[N+](=O)[O-])N=C2SCN4C(=O)C5=CC=CC=C5N=N4

InChI

InChI=1S/C22H16N6O4S/c1-32-20-9-5-4-8-19(20)27-18-11-10-14(28(30)31)12-17(18)23-22(27)33-13-26-21(29)15-6-2-3-7-16(15)24-25-26/h2-12H,13H2,1H3