1-[2-[6-(4-methylsulfonylphenoxy)-2-pyridin-2-yl-3H-benzimidazol-5-yl]pyrrolidin-1-yl]ethanethione

Systemtic Name: 1-[2-[6-(4-methylsulfonylphenoxy)-2-pyridin-2-yl-3H-benzimidazol-5-yl]pyrrolidin-1-yl]ethanethione Openeye Name: 1-[2-[6-(4-methylsulfonylphenoxy)-2-(2-pyridyl)-3H-benzimidazol-5-yl]pyrrolidin-1-yl]ethanethione CAS Name: 1-[2-[6-(4-methylsulfonylphenoxy)-2-(2-pyridinyl)-3H-benzimidazol-5-yl]-1-pyrrolidinyl]ethanethione IUPAC Name: 1-[2-[6-(4-methylsulfonylphenoxy)-2-pyridin-2-yl-3H-benzimidazol-5-yl]pyrrolidin-1-yl]ethanethione Traditional Name: 1-[2-[6-(4-mesylphenoxy)-2-(2-pyridyl)-3H-benzimidazol-5-yl]pyrrolidino]ethanethione Formula: C25H24N4O3S2 MolecularWeight: 492.61306

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Descriptors Computed from Structure

Canonical SMILES:

CC(=S)N1CCCC1C2=CC3=C(C=C2OC4=CC=C(C=C4)S(=O)(=O)C)N=C(N3)C5=CC=CC=N5

Isomeric SMILES

CC(=S)N1CCCC1C2=CC3=C(C=C2OC4=CC=C(C=C4)S(=O)(=O)C)N=C(N3)C5=CC=CC=N5

InChI

InChI=1S/C25H24N4O3S2/c1-16(33)29-13-5-7-23(29)19-14-21-22(28-25(27-21)20-6-3-4-12-26-20)15-24(19)32-17-8-10-18(11-9-17)34(2,30)31/h3-4,6,8-12,14-15,23H,5,7,13H2,1-2H3,(H,27,28)