3-[(2-chlorophenyl)-oxidanyl-methyl]-4-cyclooctyl-1H-1,2,4-triazole-5-thione

Systemtic Name: 3-[(2-chlorophenyl)-oxidanyl-methyl]-4-cyclooctyl-1H-1,2,4-triazole-5-thione Openeye Name: 3-[(2-chlorophenyl)-hydroxy-methyl]-4-cyclooctyl-1H-1,2,4-triazole-5-thione CAS Name: 3-[(2-chlorophenyl)-hydroxymethyl]-4-cyclooctyl-1H-1,2,4-triazole-5-thione IUPAC Name: 3-[(2-chlorophenyl)-hydroxymethyl]-4-cyclooctyl-1H-1,2,4-triazole-5-thione Traditional Name: 3-[(2-chlorophenyl)-hydroxy-methyl]-4-cyclooctyl-1H-1,2,4-triazole-5-thione Formula: C17H22ClN3OS MolecularWeight: 351.89408

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CCC1)N2C(=NNC2=S)C(C3=CC=CC=C3Cl)O

Isomeric SMILES

C1CCCC(CCC1)N2C(=NNC2=S)C(C3=CC=CC=C3Cl)O

InChI

InChI=1S/C17H22ClN3OS/c18-14-11-7-6-10-13(14)15(22)16-19-20-17(23)21(16)12-8-4-2-1-3-5-9-12/h6-7,10-12,15,22H,1-5,8-9H2,(H,20,23)