N-[5-[[4,5-bis(4-dimethylaminophenyl)-1H-imidazol-2-yl]sulfanyl]pentyl]-1,3-benzoxazol-2-amine

Systemtic Name: N-[5-[[4,5-bis(4-dimethylaminophenyl)-1H-imidazol-2-yl]sulfanyl]pentyl]-1,3-benzoxazol-2-amine Openeye Name: N-[5-[[4,5-bis(4-dimethylaminophenyl)-1H-imidazol-2-yl]sulfanyl]pentyl]-1,3-benzoxazol-2-amine CAS Name: N-[5-[[4,5-bis(4-dimethylaminophenyl)-1H-imidazol-2-yl]thio]pentyl]-1,3-benzoxazol-2-amine IUPAC Name: N-[5-[[4,5-bis(4-dimethylaminophenyl)-1H-imidazol-2-yl]sulfanyl]pentyl]-1,3-benzoxazol-2-amine Traditional Name: [4-[2-[5-(1,3-benzoxazol-2-ylamino)pentylthio]-4-(4-dimethylaminophenyl)-1H-imidazol-5-yl]phenyl]-dimethyl-amine Formula: C31H36N6OS MolecularWeight: 540.72214

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C2=C(N=C(N2)SCCCCCNC3=NC4=CC=CC=C4O3)C5=CC=C(C=C5)N(C)C

Isomeric SMILES

CN(C)C1=CC=C(C=C1)C2=C(N=C(N2)SCCCCCNC3=NC4=CC=CC=C4O3)C5=CC=C(C=C5)N(C)C

InChI

InChI=1S/C31H36N6OS/c1-36(2)24-16-12-22(13-17-24)28-29(23-14-18-25(19-15-23)37(3)4)35-31(34-28)39-21-9-5-8-20-32-30-33-26-10-6-7-11-27(26)38-30/h6-7,10-19H,5,8-9,20-21H2,1-4H3,(H,32,33)(H,34,35)