3-[[5,7-bis(iodanyl)quinolin-8-yl]oxymethyl]-4-butyl-1H-1,2,4-triazole-5-thione

Systemtic Name: 3-[[5,7-bis(iodanyl)quinolin-8-yl]oxymethyl]-4-butyl-1H-1,2,4-triazole-5-thione Openeye Name: 4-butyl-3-[(5,7-diiodo-8-quinolyl)oxymethyl]-1H-1,2,4-triazole-5-thione CAS Name: 4-butyl-3-[(5,7-diiodo-8-quinolinyl)oxymethyl]-1H-1,2,4-triazole-5-thione IUPAC Name: 4-butyl-3-[(5,7-diiodoquinolin-8-yl)oxymethyl]-1H-1,2,4-triazole-5-thione Traditional Name: 4-butyl-3-[(5,7-diiodo-8-quinolyl)oxymethyl]-1H-1,2,4-triazole-5-thione Formula: C16H16I2N4OS MolecularWeight: 566.19838

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NNC1=S)COC2=C(C=C(C3=C2N=CC=C3)I)I

Isomeric SMILES

CCCCN1C(=NNC1=S)COC2=C(C=C(C3=C2N=CC=C3)I)I

InChI

InChI=1S/C16H16I2N4OS/c1-2-3-7-22-13(20-21-16(22)24)9-23-15-12(18)8-11(17)10-5-4-6-19-14(10)15/h4-6,8H,2-3,7,9H2,1H3,(H,21,24)