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

Systemtic Name: 4-[5-[(3-iodanylphenyl)methylsulfanyl]-4-(3-methoxypropyl)-1,2,4-triazol-3-yl]-2-phenyl-quinoline Openeye Name: 4-[5-[(3-iodophenyl)methylsulfanyl]-4-(3-methoxypropyl)-1,2,4-triazol-3-yl]-2-phenyl-quinoline CAS Name: 4-[5-[(3-iodophenyl)methylthio]-4-(3-methoxypropyl)-1,2,4-triazol-3-yl]-2-phenylquinoline IUPAC Name: 4-[5-[(3-iodophenyl)methylsulfanyl]-4-(3-methoxypropyl)-1,2,4-triazol-3-yl]-2-phenylquinoline Traditional Name: 4-[5-[(3-iodobenzyl)thio]-4-(3-methoxypropyl)-1,2,4-triazol-3-yl]-2-phenyl-quinoline Formula: C28H25IN4OS MolecularWeight: 592.49377

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Descriptors Computed from Structure

Canonical SMILES:

COCCCN1C(=NN=C1SCC2=CC(=CC=C2)I)C3=CC(=NC4=CC=CC=C43)C5=CC=CC=C5

Isomeric SMILES

COCCCN1C(=NN=C1SCC2=CC(=CC=C2)I)C3=CC(=NC4=CC=CC=C43)C5=CC=CC=C5

InChI

InChI=1S/C28H25IN4OS/c1-34-16-8-15-33-27(31-32-28(33)35-19-20-9-7-12-22(29)17-20)24-18-26(21-10-3-2-4-11-21)30-25-14-6-5-13-23(24)25/h2-7,9-14,17-18H,8,15-16,19H2,1H3