3-[3-[[5-methyl-4-(phenylmethyl)-1H-imidazol-2-yl]sulfanyl]propyl]-1H-benzimidazol-2-one

Systemtic Name: 3-[3-[[5-methyl-4-(phenylmethyl)-1H-imidazol-2-yl]sulfanyl]propyl]-1H-benzimidazol-2-one Openeye Name: 3-[3-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanyl]propyl]-1H-benzimidazol-2-one CAS Name: 3-[3-[[5-methyl-4-(phenylmethyl)-1H-imidazol-2-yl]thio]propyl]-1H-benzimidazol-2-one IUPAC Name: 3-[3-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanyl]propyl]-1H-benzimidazol-2-one Traditional Name: 3-[3-[(4-benzyl-5-methyl-1H-imidazol-2-yl)thio]propyl]-1H-benzimidazol-2-one Formula: C21H22N4OS MolecularWeight: 378.49058

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(N1)SCCCN2C3=CC=CC=C3NC2=O)CC4=CC=CC=C4

Isomeric SMILES

CC1=C(N=C(N1)SCCCN2C3=CC=CC=C3NC2=O)CC4=CC=CC=C4

InChI

InChI=1S/C21H22N4OS/c1-15-18(14-16-8-3-2-4-9-16)23-20(22-15)27-13-7-12-25-19-11-6-5-10-17(19)24-21(25)26/h2-6,8-11H,7,12-14H2,1H3,(H,22,23)(H,24,26)