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

Systemtic Name: 3-[3-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]propyl]-1H-benzimidazol-2-one Openeye Name: 3-[3-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]propyl]-1H-benzimidazol-2-one CAS Name: 3-[3-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)thio]propyl]-1H-benzimidazol-2-one IUPAC Name: 3-[3-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]propyl]-1H-benzimidazol-2-one Traditional Name: 3-[3-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)thio]propyl]-1H-benzimidazol-2-one Formula: C19H19N5OS MolecularWeight: 365.45206

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCCCN2C3=CC=CC=C3NC2=O)C4=CC=CC=C4

Isomeric SMILES

CN1C(=NN=C1SCCCN2C3=CC=CC=C3NC2=O)C4=CC=CC=C4

InChI

InChI=1S/C19H19N5OS/c1-23-17(14-8-3-2-4-9-14)21-22-19(23)26-13-7-12-24-16-11-6-5-10-15(16)20-18(24)25/h2-6,8-11H,7,12-13H2,1H3,(H,20,25)