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

Systemtic Name: 3-[3-[[4-ethyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propyl]-1H-benzimidazol-2-one Openeye Name: 3-[3-[(5-benzyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]propyl]-1H-benzimidazol-2-one CAS Name: 3-[3-[[4-ethyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]thio]propyl]-1H-benzimidazol-2-one IUPAC Name: 3-[3-[(5-benzyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]propyl]-1H-benzimidazol-2-one Traditional Name: 3-[3-[(5-benzyl-4-ethyl-1,2,4-triazol-3-yl)thio]propyl]-1H-benzimidazol-2-one Formula: C21H23N5OS MolecularWeight: 393.50522

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCCCN2C3=CC=CC=C3NC2=O)CC4=CC=CC=C4

Isomeric SMILES

CCN1C(=NN=C1SCCCN2C3=CC=CC=C3NC2=O)CC4=CC=CC=C4

InChI

InChI=1S/C21H23N5OS/c1-2-25-19(15-16-9-4-3-5-10-16)23-24-21(25)28-14-8-13-26-18-12-7-6-11-17(18)22-20(26)27/h3-7,9-12H,2,8,13-15H2,1H3,(H,22,27)