3-[3-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]propyl]-1H-benzimidazol-2-one

Systemtic Name: 3-[3-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]propyl]-1H-benzimidazol-2-one Openeye Name: 3-[3-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]propyl]-1H-benzimidazol-2-one CAS Name: 3-[3-[(5,6-diphenyl-1,2,4-triazin-3-yl)thio]propyl]-1H-benzimidazol-2-one IUPAC Name: 3-[3-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]propyl]-1H-benzimidazol-2-one Traditional Name: 3-[3-[(5,6-diphenyl-1,2,4-triazin-3-yl)thio]propyl]-1H-benzimidazol-2-one Formula: C25H21N5OS MolecularWeight: 439.53214

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(N=NC(=N2)SCCCN3C4=CC=CC=C4NC3=O)C5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)C2=C(N=NC(=N2)SCCCN3C4=CC=CC=C4NC3=O)C5=CC=CC=C5

InChI

InChI=1S/C25H21N5OS/c31-25-26-20-14-7-8-15-21(20)30(25)16-9-17-32-24-27-22(18-10-3-1-4-11-18)23(28-29-24)19-12-5-2-6-13-19/h1-8,10-15H,9,16-17H2,(H,26,31)