N-[[4-(4-methoxyphenyl)-5-(phenylmethylsulfanyl)-1,2,4-triazol-3-yl]methyl]cyclohexanecarboxamide

Systemtic Name: N-[[4-(4-methoxyphenyl)-5-(phenylmethylsulfanyl)-1,2,4-triazol-3-yl]methyl]cyclohexanecarboxamide Openeye Name: N-[[5-benzylsulfanyl-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]methyl]cyclohexanecarboxamide CAS Name: N-[[4-(4-methoxyphenyl)-5-(phenylmethylthio)-1,2,4-triazol-3-yl]methyl]cyclohexanecarboxamide IUPAC Name: N-[[5-benzylsulfanyl-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]methyl]cyclohexanecarboxamide Traditional Name: N-[[5-(benzylthio)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]methyl]cyclohexanecarboxamide Formula: C24H28N4O2S MolecularWeight: 436.56972

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(=NN=C2SCC3=CC=CC=C3)CNC(=O)C4CCCCC4

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=NN=C2SCC3=CC=CC=C3)CNC(=O)C4CCCCC4

InChI

InChI=1S/C24H28N4O2S/c1-30-21-14-12-20(13-15-21)28-22(16-25-23(29)19-10-6-3-7-11-19)26-27-24(28)31-17-18-8-4-2-5-9-18/h2,4-5,8-9,12-15,19H,3,6-7,10-11,16-17H2,1H3,(H,25,29)