N-cyclohexyl-2-[[5-[(4-methylphenoxy)methyl]-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: N-cyclohexyl-2-[[5-[(4-methylphenoxy)methyl]-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: 2-[[4-benzyl-5-[(4-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-cyclohexyl-acetamide CAS Name: N-cyclohexyl-2-[[5-[(4-methylphenoxy)methyl]-4-(phenylmethyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: 2-[[4-benzyl-5-[(4-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-cyclohexylacetamide Traditional Name: 2-[[4-benzyl-5-[(4-methylphenoxy)methyl]-1,2,4-triazol-3-yl]thio]-N-cyclohexyl-acetamide Formula: C25H30N4O2S MolecularWeight: 450.5963

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OCC2=NN=C(N2CC3=CC=CC=C3)SCC(=O)NC4CCCCC4

Isomeric SMILES

CC1=CC=C(C=C1)OCC2=NN=C(N2CC3=CC=CC=C3)SCC(=O)NC4CCCCC4

InChI

InChI=1S/C25H30N4O2S/c1-19-12-14-22(15-13-19)31-17-23-27-28-25(29(23)16-20-8-4-2-5-9-20)32-18-24(30)26-21-10-6-3-7-11-21/h2,4-5,8-9,12-15,21H,3,6-7,10-11,16-18H2,1H3,(H,26,30)