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

Systemtic Name: 3-[3-[[5-(thiophen-2-ylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propyl]-1H-benzimidazol-2-one Openeye Name: 3-[3-[[5-(2-thienylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propyl]-1H-benzimidazol-2-one CAS Name: 3-[3-[[5-(thiophen-2-ylmethyl)-1H-1,2,4-triazol-3-yl]thio]propyl]-1H-benzimidazol-2-one IUPAC Name: 3-[3-[[5-(thiophen-2-ylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propyl]-1H-benzimidazol-2-one Traditional Name: 3-[3-[[5-(2-thenyl)-1H-1,2,4-triazol-3-yl]thio]propyl]-1H-benzimidazol-2-one Formula: C17H17N5OS2 MolecularWeight: 371.47978

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=O)N2CCCSC3=NNC(=N3)CC4=CC=CS4

Isomeric SMILES

C1=CC=C2C(=C1)NC(=O)N2CCCSC3=NNC(=N3)CC4=CC=CS4

InChI

InChI=1S/C17H17N5OS2/c23-17-18-13-6-1-2-7-14(13)22(17)8-4-10-25-16-19-15(20-21-16)11-12-5-3-9-24-12/h1-3,5-7,9H,4,8,10-11H2,(H,18,23)(H,19,20,21)