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

Systemtic Name: 3-[(5-chloranyl-7-iodanyl-quinolin-8-yl)oxymethyl]-4-cyclohexyl-1H-1,2,4-triazole-5-thione Openeye Name: 3-[(5-chloro-7-iodo-8-quinolyl)oxymethyl]-4-cyclohexyl-1H-1,2,4-triazole-5-thione CAS Name: 3-[(5-chloro-7-iodo-8-quinolinyl)oxymethyl]-4-cyclohexyl-1H-1,2,4-triazole-5-thione IUPAC Name: 3-[(5-chloro-7-iodoquinolin-8-yl)oxymethyl]-4-cyclohexyl-1H-1,2,4-triazole-5-thione Traditional Name: 3-[(5-chloro-7-iodo-8-quinolyl)oxymethyl]-4-cyclohexyl-1H-1,2,4-triazole-5-thione Formula: C18H18ClIN4OS MolecularWeight: 500.78419

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=NNC2=S)COC3=C(C=C(C4=C3N=CC=C4)Cl)I

Isomeric SMILES

C1CCC(CC1)N2C(=NNC2=S)COC3=C(C=C(C4=C3N=CC=C4)Cl)I

InChI

InChI=1S/C18H18ClIN4OS/c19-13-9-14(20)17(16-12(13)7-4-8-21-16)25-10-15-22-23-18(26)24(15)11-5-2-1-3-6-11/h4,7-9,11H,1-3,5-6,10H2,(H,23,26)