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

Systemtic Name: 3-[3-[[4-methyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]propyl]-1H-benzimidazol-2-one Openeye Name: 3-[3-[[4-methyl-5-(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]propyl]-1H-benzimidazol-2-one CAS Name: 3-[3-[[4-methyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]thio]propyl]-1H-benzimidazol-2-one IUPAC Name: 3-[3-[[4-methyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]propyl]-1H-benzimidazol-2-one Traditional Name: 3-[3-[[4-methyl-5-(p-tolyl)-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:

CC1=CC=C(C=C1)C2=NN=C(N2C)SCCCN3C4=CC=CC=C4NC3=O

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN=C(N2C)SCCCN3C4=CC=CC=C4NC3=O

InChI

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