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

Systemtic Name: 3-[3-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]propyl]-1H-benzimidazol-2-one Openeye Name: 3-[3-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]propyl]-1H-benzimidazol-2-one CAS Name: 3-[3-[(5-propyl-1H-1,2,4-triazol-3-yl)thio]propyl]-1H-benzimidazol-2-one IUPAC Name: 3-[3-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]propyl]-1H-benzimidazol-2-one Traditional Name: 3-[3-[(5-propyl-1H-1,2,4-triazol-3-yl)thio]propyl]-1H-benzimidazol-2-one Formula: C15H19N5OS MolecularWeight: 317.40926

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC(=NN1)SCCCN2C3=CC=CC=C3NC2=O

Isomeric SMILES

CCCC1=NC(=NN1)SCCCN2C3=CC=CC=C3NC2=O

InChI

InChI=1S/C15H19N5OS/c1-2-6-13-17-14(19-18-13)22-10-5-9-20-12-8-4-3-7-11(12)16-15(20)21/h3-4,7-8H,2,5-6,9-10H2,1H3,(H,16,21)(H,17,18,19)