2-[3-[[5-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propyl]benzo[de]isoquinoline-1,3-dione

Systemtic Name: 2-[3-[[5-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propyl]benzo[de]isoquinoline-1,3-dione Openeye Name: 2-[3-[[5-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propyl]benzo[de]isoquinoline-1,3-dione CAS Name: 2-[3-[[5-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]thio]propyl]benzo[de]isoquinoline-1,3-dione IUPAC Name: 2-[3-[[5-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propyl]benzo[de]isoquinoline-1,3-dione Traditional Name: 2-[3-[[5-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]thio]propyl]benzo[de]isoquinoline-1,3-quinone Formula: C23H17ClN4O2S MolecularWeight: 448.92468

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C3C(=C1)C(=O)N(C(=O)C3=CC=C2)CCCSC4=NNC(=N4)C5=CC=C(C=C5)Cl

Isomeric SMILES

C1=CC2=C3C(=C1)C(=O)N(C(=O)C3=CC=C2)CCCSC4=NNC(=N4)C5=CC=C(C=C5)Cl

InChI

InChI=1S/C23H17ClN4O2S/c24-16-10-8-15(9-11-16)20-25-23(27-26-20)31-13-3-12-28-21(29)17-6-1-4-14-5-2-7-18(19(14)17)22(28)30/h1-2,4-11H,3,12-13H2,(H,25,26,27)