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

Systemtic Name: N-[[4-(3-methoxyphenyl)-5-phenethylsulfanyl-1,2,4-triazol-3-yl]methyl]cyclohexanecarboxamide Openeye Name: N-[[4-(3-methoxyphenyl)-5-phenethylsulfanyl-1,2,4-triazol-3-yl]methyl]cyclohexanecarboxamide CAS Name: N-[[4-(3-methoxyphenyl)-5-(phenethylthio)-1,2,4-triazol-3-yl]methyl]cyclohexanecarboxamide IUPAC Name: N-[[4-(3-methoxyphenyl)-5-phenethylsulfanyl-1,2,4-triazol-3-yl]methyl]cyclohexanecarboxamide Traditional Name: N-[[4-(3-methoxyphenyl)-5-(phenethylthio)-1,2,4-triazol-3-yl]methyl]cyclohexanecarboxamide Formula: C25H30N4O2S MolecularWeight: 450.5963

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N2C(=NN=C2SCCC3=CC=CC=C3)CNC(=O)C4CCCCC4

Isomeric SMILES

COC1=CC=CC(=C1)N2C(=NN=C2SCCC3=CC=CC=C3)CNC(=O)C4CCCCC4

InChI

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