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

Systemtic Name: 4-[4-ethyl-5-[(4-iodophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]-2-phenyl-quinoline Openeye Name: 4-[4-ethyl-5-[(4-iodophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]-2-phenyl-quinoline CAS Name: 4-[4-ethyl-5-[(4-iodophenyl)methylthio]-1,2,4-triazol-3-yl]-2-phenylquinoline IUPAC Name: 4-[4-ethyl-5-[(4-iodophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]-2-phenylquinoline Traditional Name: 4-[4-ethyl-5-[(4-iodobenzyl)thio]-1,2,4-triazol-3-yl]-2-phenyl-quinoline Formula: C26H21IN4S MolecularWeight: 548.44121

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=CC=C(C=C2)I)C3=CC(=NC4=CC=CC=C43)C5=CC=CC=C5

Isomeric SMILES

CCN1C(=NN=C1SCC2=CC=C(C=C2)I)C3=CC(=NC4=CC=CC=C43)C5=CC=CC=C5

InChI

InChI=1S/C26H21IN4S/c1-2-31-25(29-30-26(31)32-17-18-12-14-20(27)15-13-18)22-16-24(19-8-4-3-5-9-19)28-23-11-7-6-10-21(22)23/h3-16H,2,17H2,1H3