5-[(4-cyclohexylphenoxy)methyl]-4-methyl-2-(morpholin-4-ium-4-ylmethyl)-1,2,4-triazole-3-thione

Systemtic Name: 5-[(4-cyclohexylphenoxy)methyl]-4-methyl-2-(morpholin-4-ium-4-ylmethyl)-1,2,4-triazole-3-thione Openeye Name: 5-[(4-cyclohexylphenoxy)methyl]-4-methyl-2-(morpholin-4-ium-4-ylmethyl)-1,2,4-triazole-3-thione CAS Name: 5-[(4-cyclohexylphenoxy)methyl]-4-methyl-2-(4-morpholin-4-iumylmethyl)-1,2,4-triazole-3-thione IUPAC Name: 5-[(4-cyclohexylphenoxy)methyl]-4-methyl-2-(morpholin-4-ium-4-ylmethyl)-1,2,4-triazole-3-thione Traditional Name: 5-[(4-cyclohexylphenoxy)methyl]-4-methyl-2-(morpholin-4-ium-4-ylmethyl)-1,2,4-triazole-3-thione Formula: C21H31N4O2S+ MolecularWeight: 403.56144

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN(C1=S)C[NH+]2CCOCC2)COC3=CC=C(C=C3)C4CCCCC4

Isomeric SMILES

CN1C(=NN(C1=S)C[NH+]2CCOCC2)COC3=CC=C(C=C3)C4CCCCC4

InChI

InChI=1S/C21H30N4O2S/c1-23-20(22-25(21(23)28)16-24-11-13-26-14-12-24)15-27-19-9-7-18(8-10-19)17-5-3-2-4-6-17/h7-10,17H,2-6,11-16H2,1H3/p+1