5-[2-(2-methylprop-1-enyl)-5-nitro-benzimidazol-1-yl]-4,6-diphenyl-5H-pyrimidine-2-thione

Systemtic Name: 5-[2-(2-methylprop-1-enyl)-5-nitro-benzimidazol-1-yl]-4,6-diphenyl-5H-pyrimidine-2-thione Openeye Name: 5-[2-(2-methylprop-1-enyl)-5-nitro-benzimidazol-1-yl]-4,6-diphenyl-5H-pyrimidine-2-thione CAS Name: 5-[2-(2-methylprop-1-enyl)-5-nitro-1-benzimidazolyl]-4,6-diphenyl-5H-pyrimidine-2-thione IUPAC Name: 5-[2-(2-methylprop-1-enyl)-5-nitrobenzimidazol-1-yl]-4,6-diphenyl-5H-pyrimidine-2-thione Traditional Name: 5-[2-(2-methylprop-1-enyl)-5-nitro-benzimidazol-1-yl]-4,6-diphenyl-5H-pyrimidine-2-thione Formula: C27H21N5O2S MolecularWeight: 479.55294

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC1=NC2=C(N1C3C(=NC(=S)N=C3C4=CC=CC=C4)C5=CC=CC=C5)C=CC(=C2)[N+](=O)[O-])C

Isomeric SMILES

CC(=CC1=NC2=C(N1C3C(=NC(=S)N=C3C4=CC=CC=C4)C5=CC=CC=C5)C=CC(=C2)[N+](=O)[O-])C

InChI

InChI=1S/C27H21N5O2S/c1-17(2)15-23-28-21-16-20(32(33)34)13-14-22(21)31(23)26-24(18-9-5-3-6-10-18)29-27(35)30-25(26)19-11-7-4-8-12-19/h3-16,26H,1-2H3