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

Systemtic Name: 3-[3-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]propyl]-1H-benzimidazol-2-one Openeye Name: 3-[3-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]propyl]-1H-benzimidazol-2-one CAS Name: 3-[3-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)thio]propyl]-1H-benzimidazol-2-one IUPAC Name: 3-[3-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]propyl]-1H-benzimidazol-2-one Traditional Name: 3-[3-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)thio]propyl]-1H-benzimidazol-2-one Formula: C20H21N5OS MolecularWeight: 379.47864

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N5OS/c1-2-24-18(15-9-4-3-5-10-15)22-23-20(24)27-14-8-13-25-17-12-7-6-11-16(17)21-19(25)26/h3-7,9-12H,2,8,13-14H2,1H3,(H,21,26)