4-[4-(furan-2-ylmethyl)-5-[(4-iodophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]-2-phenyl-quinoline

Systemtic Name: 4-[4-(furan-2-ylmethyl)-5-[(4-iodophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]-2-phenyl-quinoline Openeye Name: 4-[4-(2-furylmethyl)-5-[(4-iodophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]-2-phenyl-quinoline CAS Name: 4-[4-(2-furanylmethyl)-5-[(4-iodophenyl)methylthio]-1,2,4-triazol-3-yl]-2-phenylquinoline IUPAC Name: 4-[4-(furan-2-ylmethyl)-5-[(4-iodophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]-2-phenylquinoline Traditional Name: 4-[4-(2-furfuryl)-5-[(4-iodobenzyl)thio]-1,2,4-triazol-3-yl]-2-phenyl-quinoline Formula: C29H21IN4OS MolecularWeight: 600.47271

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C4=NN=C(N4CC5=CC=CO5)SCC6=CC=C(C=C6)I

Isomeric SMILES

C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C4=NN=C(N4CC5=CC=CO5)SCC6=CC=C(C=C6)I

InChI

InChI=1S/C29H21IN4OS/c30-22-14-12-20(13-15-22)19-36-29-33-32-28(34(29)18-23-9-6-16-35-23)25-17-27(21-7-2-1-3-8-21)31-26-11-5-4-10-24(25)26/h1-17H,18-19H2