2-[[5-cyclohexyl-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-ethanamide

Systemtic Name: 2-[[5-cyclohexyl-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-ethanamide Openeye Name: 2-[[5-cyclohexyl-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-acetamide CAS Name: 2-[[5-cyclohexyl-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]-N-phenylacetamide IUPAC Name: 2-[[5-cyclohexyl-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide Traditional Name: 2-[[5-cyclohexyl-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]-N-phenyl-acetamide Formula: C23H26N4O2S MolecularWeight: 422.54314

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=CC=CC=C3)C4CCCCC4

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=CC=CC=C3)C4CCCCC4

InChI

InChI=1S/C23H26N4O2S/c1-29-20-14-12-19(13-15-20)27-22(17-8-4-2-5-9-17)25-26-23(27)30-16-21(28)24-18-10-6-3-7-11-18/h3,6-7,10-15,17H,2,4-5,8-9,16H2,1H3,(H,24,28)