2-[[4-azanyl-5-[(2,4-dimethylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-cyclohexyl-N-ethyl-ethanamide

Systemtic Name: 2-[[4-azanyl-5-[(2,4-dimethylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-cyclohexyl-N-ethyl-ethanamide Openeye Name: 2-[[4-amino-5-[(2,4-dimethylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-cyclohexyl-N-ethyl-acetamide CAS Name: 2-[[4-amino-5-[(2,4-dimethylphenoxy)methyl]-1,2,4-triazol-3-yl]thio]-N-cyclohexyl-N-ethylacetamide IUPAC Name: 2-[[4-amino-5-[(2,4-dimethylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-cyclohexyl-N-ethylacetamide Traditional Name: 2-[[4-amino-5-[(2,4-dimethylphenoxy)methyl]-1,2,4-triazol-3-yl]thio]-N-cyclohexyl-N-ethyl-acetamide Formula: C21H31N5O2S MolecularWeight: 417.56814

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1CCCCC1)C(=O)CSC2=NN=C(N2N)COC3=C(C=C(C=C3)C)C

Isomeric SMILES

CCN(C1CCCCC1)C(=O)CSC2=NN=C(N2N)COC3=C(C=C(C=C3)C)C

InChI

InChI=1S/C21H31N5O2S/c1-4-25(17-8-6-5-7-9-17)20(27)14-29-21-24-23-19(26(21)22)13-28-18-11-10-15(2)12-16(18)3/h10-12,17H,4-9,13-14,22H2,1-3H3