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

Systemtic Name: 3-[3-[[5-(3-methylphenyl)-4-propyl-1,2,4-triazol-3-yl]sulfanyl]propyl]-1H-benzimidazol-2-one Openeye Name: 3-[3-[[5-(m-tolyl)-4-propyl-1,2,4-triazol-3-yl]sulfanyl]propyl]-1H-benzimidazol-2-one CAS Name: 3-[3-[[5-(3-methylphenyl)-4-propyl-1,2,4-triazol-3-yl]thio]propyl]-1H-benzimidazol-2-one IUPAC Name: 3-[3-[[5-(3-methylphenyl)-4-propyl-1,2,4-triazol-3-yl]sulfanyl]propyl]-1H-benzimidazol-2-one Traditional Name: 3-[3-[[5-(m-tolyl)-4-propyl-1,2,4-triazol-3-yl]thio]propyl]-1H-benzimidazol-2-one Formula: C22H25N5OS MolecularWeight: 407.5318

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NN=C1SCCCN2C3=CC=CC=C3NC2=O)C4=CC(=CC=C4)C

Isomeric SMILES

CCCN1C(=NN=C1SCCCN2C3=CC=CC=C3NC2=O)C4=CC(=CC=C4)C

InChI

InChI=1S/C22H25N5OS/c1-3-12-27-20(17-9-6-8-16(2)15-17)24-25-22(27)29-14-7-13-26-19-11-5-4-10-18(19)23-21(26)28/h4-6,8-11,15H,3,7,12-14H2,1-2H3,(H,23,28)