2-[[5-(benzimidazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methoxyphenyl)ethanone

Systemtic Name: 2-[[5-(benzimidazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methoxyphenyl)ethanone Openeye Name: 2-[[5-(benzimidazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methoxyphenyl)ethanone CAS Name: 2-[[5-(1-benzimidazolylmethyl)-4-methyl-1,2,4-triazol-3-yl]thio]-1-(4-methoxyphenyl)ethanone IUPAC Name: 2-[[5-(benzimidazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methoxyphenyl)ethanone Traditional Name: 2-[[5-(benzimidazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]thio]-1-(4-methoxyphenyl)ethanone Formula: C20H19N5O2S MolecularWeight: 393.46216

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)C2=CC=C(C=C2)OC)CN3C=NC4=CC=CC=C43

Isomeric SMILES

CN1C(=NN=C1SCC(=O)C2=CC=C(C=C2)OC)CN3C=NC4=CC=CC=C43

InChI

InChI=1S/C20H19N5O2S/c1-24-19(11-25-13-21-16-5-3-4-6-17(16)25)22-23-20(24)28-12-18(26)14-7-9-15(27-2)10-8-14/h3-10,13H,11-12H2,1-2H3