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

Systemtic Name: 3-[3-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]propyl]-1H-benzimidazol-2-one Openeye Name: 3-[3-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]propyl]-1H-benzimidazol-2-one CAS Name: 3-[3-[(1-phenyl-1,2,4-triazol-3-yl)thio]propyl]-1H-benzimidazol-2-one IUPAC Name: 3-[3-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]propyl]-1H-benzimidazol-2-one Traditional Name: 3-[3-[(1-phenyl-1,2,4-triazol-3-yl)thio]propyl]-1H-benzimidazol-2-one Formula: C18H17N5OS MolecularWeight: 351.42548

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=NC(=N2)SCCCN3C4=CC=CC=C4NC3=O

Isomeric SMILES

C1=CC=C(C=C1)N2C=NC(=N2)SCCCN3C4=CC=CC=C4NC3=O

InChI

InChI=1S/C18H17N5OS/c24-18-20-15-9-4-5-10-16(15)22(18)11-6-12-25-17-19-13-23(21-17)14-7-2-1-3-8-14/h1-5,7-10,13H,6,11-12H2,(H,20,24)