1-ethyl-2-[[4-(2-methylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanylmethyl]benzimidazole-5-carboxylate

Systemtic Name: 1-ethyl-2-[[4-(2-methylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanylmethyl]benzimidazole-5-carboxylate Openeye Name: 1-ethyl-2-[[4-(o-tolyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzimidazole-5-carboxylate CAS Name: 1-ethyl-2-[[[4-(2-methylphenyl)-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]methyl]-5-benzimidazolecarboxylate IUPAC Name: 1-ethyl-2-[[4-(2-methylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanylmethyl]benzimidazole-5-carboxylate Traditional Name: 1-ethyl-2-[[[4-(o-tolyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]methyl]benzimidazole-5-carboxylate Formula: C25H21N6O2S- MolecularWeight: 469.53824

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)[O-])N=C1CSC3=NN=C(N3C4=CC=CC=C4C)C5=CN=CC=C5

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)[O-])N=C1CSC3=NN=C(N3C4=CC=CC=C4C)C5=CN=CC=C5

InChI

InChI=1S/C25H22N6O2S/c1-3-30-21-11-10-17(24(32)33)13-19(21)27-22(30)15-34-25-29-28-23(18-8-6-12-26-14-18)31(25)20-9-5-4-7-16(20)2/h4-14H,3,15H2,1-2H3,(H,32,33)/p-1