2-[[4-(4-ethoxyphenyl)-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-benzimidazole

Systemtic Name: 2-[[4-(4-ethoxyphenyl)-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-benzimidazole Openeye Name: 2-[[4-(4-ethoxyphenyl)-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-benzimidazole CAS Name: 2-[[[4-(4-ethoxyphenyl)-5-(phenoxymethyl)-1,2,4-triazol-3-yl]thio]methyl]-1H-benzimidazole IUPAC Name: 2-[[4-(4-ethoxyphenyl)-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-benzimidazole Traditional Name: 2-[[[5-(phenoxymethyl)-4-p-phenetyl-1,2,4-triazol-3-yl]thio]methyl]-1H-benzimidazole Formula: C25H23N5O2S MolecularWeight: 457.54742

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=NN=C2SCC3=NC4=CC=CC=C4N3)COC5=CC=CC=C5

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=NN=C2SCC3=NC4=CC=CC=C4N3)COC5=CC=CC=C5

InChI

InChI=1S/C25H23N5O2S/c1-2-31-20-14-12-18(13-15-20)30-24(16-32-19-8-4-3-5-9-19)28-29-25(30)33-17-23-26-21-10-6-7-11-22(21)27-23/h3-15H,2,16-17H2,1H3,(H,26,27)