2-[[5-[(4-cyclohexylphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N,N-diethyl-ethanamide

Systemtic Name: 2-[[5-[(4-cyclohexylphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N,N-diethyl-ethanamide Openeye Name: 2-[[5-[(4-cyclohexylphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N,N-diethyl-acetamide CAS Name: 2-[[5-[(4-cyclohexylphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]thio]-N,N-diethylacetamide IUPAC Name: 2-[[5-[(4-cyclohexylphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N,N-diethylacetamide Traditional Name: 2-[[5-[(4-cyclohexylphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]thio]-N,N-diethyl-acetamide Formula: C27H34N4O2S MolecularWeight: 478.64946

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)CSC1=NN=C(N1C2=CC=CC=C2)COC3=CC=C(C=C3)C4CCCCC4

Isomeric SMILES

CCN(CC)C(=O)CSC1=NN=C(N1C2=CC=CC=C2)COC3=CC=C(C=C3)C4CCCCC4

InChI

InChI=1S/C27H34N4O2S/c1-3-30(4-2)26(32)20-34-27-29-28-25(31(27)23-13-9-6-10-14-23)19-33-24-17-15-22(16-18-24)21-11-7-5-8-12-21/h6,9-10,13-18,21H,3-5,7-8,11-12,19-20H2,1-2H3