1-[1-(4-fluorophenyl)-5-nitro-benzimidazol-2-yl]sulfanyl-4-(4-methylphenyl)phthalazine

Systemtic Name: 1-[1-(4-fluorophenyl)-5-nitro-benzimidazol-2-yl]sulfanyl-4-(4-methylphenyl)phthalazine Openeye Name: 1-[1-(4-fluorophenyl)-5-nitro-benzimidazol-2-yl]sulfanyl-4-(p-tolyl)phthalazine CAS Name: 1-[[1-(4-fluorophenyl)-5-nitro-2-benzimidazolyl]thio]-4-(4-methylphenyl)phthalazine IUPAC Name: 1-[1-(4-fluorophenyl)-5-nitrobenzimidazol-2-yl]sulfanyl-4-(4-methylphenyl)phthalazine Traditional Name: 1-[[1-(4-fluorophenyl)-5-nitro-benzimidazol-2-yl]thio]-4-(p-tolyl)phthalazine Formula: C28H18FN5O2S MolecularWeight: 507.538223

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN=C(C3=CC=CC=C32)SC4=NC5=C(N4C6=CC=C(C=C6)F)C=CC(=C5)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN=C(C3=CC=CC=C32)SC4=NC5=C(N4C6=CC=C(C=C6)F)C=CC(=C5)[N+](=O)[O-]

InChI

InChI=1S/C28H18FN5O2S/c1-17-6-8-18(9-7-17)26-22-4-2-3-5-23(22)27(32-31-26)37-28-30-24-16-21(34(35)36)14-15-25(24)33(28)20-12-10-19(29)11-13-20/h2-16H,1H3