3-[3-[[5-(4-methoxyphenyl)-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]propyl]-1H-benzimidazol-2-one

Systemtic Name: 3-[3-[[5-(4-methoxyphenyl)-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]propyl]-1H-benzimidazol-2-one Openeye Name: 3-[3-[[4-isopropyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]propyl]-1H-benzimidazol-2-one CAS Name: 3-[3-[[5-(4-methoxyphenyl)-4-propan-2-yl-1,2,4-triazol-3-yl]thio]propyl]-1H-benzimidazol-2-one IUPAC Name: 3-[3-[[5-(4-methoxyphenyl)-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]propyl]-1H-benzimidazol-2-one Traditional Name: 3-[3-[[4-isopropyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]propyl]-1H-benzimidazol-2-one Formula: C22H25N5O2S MolecularWeight: 423.5312

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=NN=C1SCCCN2C3=CC=CC=C3NC2=O)C4=CC=C(C=C4)OC

Isomeric SMILES

CC(C)N1C(=NN=C1SCCCN2C3=CC=CC=C3NC2=O)C4=CC=C(C=C4)OC

InChI

InChI=1S/C22H25N5O2S/c1-15(2)27-20(16-9-11-17(29-3)12-10-16)24-25-22(27)30-14-6-13-26-19-8-5-4-7-18(19)23-21(26)28/h4-5,7-12,15H,6,13-14H2,1-3H3,(H,23,28)