3-[3-[4-(4-methylphenyl)phthalazin-1-yl]sulfanylpropyl]-1H-benzimidazol-2-one

Systemtic Name: 3-[3-[4-(4-methylphenyl)phthalazin-1-yl]sulfanylpropyl]-1H-benzimidazol-2-one Openeye Name: 3-[3-[4-(p-tolyl)phthalazin-1-yl]sulfanylpropyl]-1H-benzimidazol-2-one CAS Name: 3-[3-[[4-(4-methylphenyl)-1-phthalazinyl]thio]propyl]-1H-benzimidazol-2-one IUPAC Name: 3-[3-[4-(4-methylphenyl)phthalazin-1-yl]sulfanylpropyl]-1H-benzimidazol-2-one Traditional Name: 3-[3-[[4-(p-tolyl)phthalazin-1-yl]thio]propyl]-1H-benzimidazol-2-one Formula: C25H22N4OS MolecularWeight: 426.53338

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN=C(C3=CC=CC=C32)SCCCN4C5=CC=CC=C5NC4=O

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN=C(C3=CC=CC=C32)SCCCN4C5=CC=CC=C5NC4=O

InChI

InChI=1S/C25H22N4OS/c1-17-11-13-18(14-12-17)23-19-7-2-3-8-20(19)24(28-27-23)31-16-6-15-29-22-10-5-4-9-21(22)26-25(29)30/h2-5,7-14H,6,15-16H2,1H3,(H,26,30)