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

Systemtic Name: 4-[5-[(3-iodanylphenyl)methylsulfanyl]-4-(oxolan-2-ylmethyl)-1,2,4-triazol-3-yl]-2-phenyl-quinoline Openeye Name: 4-[5-[(3-iodophenyl)methylsulfanyl]-4-(tetrahydrofuran-2-ylmethyl)-1,2,4-triazol-3-yl]-2-phenyl-quinoline CAS Name: 4-[5-[(3-iodophenyl)methylthio]-4-(2-oxolanylmethyl)-1,2,4-triazol-3-yl]-2-phenylquinoline IUPAC Name: 4-[5-[(3-iodophenyl)methylsulfanyl]-4-(oxolan-2-ylmethyl)-1,2,4-triazol-3-yl]-2-phenylquinoline Traditional Name: 4-[5-[(3-iodobenzyl)thio]-4-(tetrahydrofurfuryl)-1,2,4-triazol-3-yl]-2-phenyl-quinoline Formula: C29H25IN4OS MolecularWeight: 604.50447

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CN2C(=NN=C2SCC3=CC(=CC=C3)I)C4=CC(=NC5=CC=CC=C54)C6=CC=CC=C6

Isomeric SMILES

C1CC(OC1)CN2C(=NN=C2SCC3=CC(=CC=C3)I)C4=CC(=NC5=CC=CC=C54)C6=CC=CC=C6

InChI

InChI=1S/C29H25IN4OS/c30-22-11-6-8-20(16-22)19-36-29-33-32-28(34(29)18-23-12-7-15-35-23)25-17-27(21-9-2-1-3-10-21)31-26-14-5-4-13-24(25)26/h1-6,8-11,13-14,16-17,23H,7,12,15,18-19H2