4-[[5-(5,6-dimethyl-1H-benzimidazol-2-yl)pyridin-2-yl]sulfanylmethyl]benzoate

Systemtic Name: 4-[[5-(5,6-dimethyl-1H-benzimidazol-2-yl)pyridin-2-yl]sulfanylmethyl]benzoate Openeye Name: 4-[[5-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-pyridyl]sulfanylmethyl]benzoate CAS Name: 4-[[[5-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-pyridinyl]thio]methyl]benzoate IUPAC Name: 4-[[5-(5,6-dimethyl-1H-benzimidazol-2-yl)pyridin-2-yl]sulfanylmethyl]benzoate Traditional Name: 4-[[[5-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-pyridyl]thio]methyl]benzoate Formula: C22H18N3O2S- MolecularWeight: 388.46222

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)N=C(N2)C3=CN=C(C=C3)SCC4=CC=C(C=C4)C(=O)[O-]

Isomeric SMILES

CC1=CC2=C(C=C1C)N=C(N2)C3=CN=C(C=C3)SCC4=CC=C(C=C4)C(=O)[O-]

InChI

InChI=1S/C22H19N3O2S/c1-13-9-18-19(10-14(13)2)25-21(24-18)17-7-8-20(23-11-17)28-12-15-3-5-16(6-4-15)22(26)27/h3-11H,12H2,1-2H3,(H,24,25)(H,26,27)/p-1