3-[(2-chloranylphenoxy)methyl]-4-(2-oxidanylcyclohexyl)-1H-1,2,4-triazole-5-thione

Systemtic Name: 3-[(2-chloranylphenoxy)methyl]-4-(2-oxidanylcyclohexyl)-1H-1,2,4-triazole-5-thione Openeye Name: 3-[(2-chlorophenoxy)methyl]-4-(2-hydroxycyclohexyl)-1H-1,2,4-triazole-5-thione CAS Name: 3-[(2-chlorophenoxy)methyl]-4-(2-hydroxycyclohexyl)-1H-1,2,4-triazole-5-thione IUPAC Name: 3-[(2-chlorophenoxy)methyl]-4-(2-hydroxycyclohexyl)-1H-1,2,4-triazole-5-thione Traditional Name: 3-[(2-chlorophenoxy)methyl]-4-(2-hydroxycyclohexyl)-1H-1,2,4-triazole-5-thione Formula: C15H18ClN3O2S MolecularWeight: 339.84032

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)N2C(=NNC2=S)COC3=CC=CC=C3Cl)O

Isomeric SMILES

C1CCC(C(C1)N2C(=NNC2=S)COC3=CC=CC=C3Cl)O

InChI

InChI=1S/C15H18ClN3O2S/c16-10-5-1-4-8-13(10)21-9-14-17-18-15(22)19(14)11-6-2-3-7-12(11)20/h1,4-5,8,11-12,20H,2-3,6-7,9H2,(H,18,22)