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

Systemtic Name: 2-[[4-(3-chloranyl-4-methoxy-phenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-cyclohexyl-ethanamide Openeye Name: 2-[[4-(3-chloro-4-methoxy-phenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-cyclohexyl-acetamide CAS Name: 2-[[4-(3-chloro-4-methoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]thio]-N-cyclohexylacetamide IUPAC Name: 2-[[4-(3-chloro-4-methoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-cyclohexylacetamide Traditional Name: 2-[[4-(3-chloro-4-methoxy-phenyl)-5-phenyl-1,2,4-triazol-3-yl]thio]-N-cyclohexyl-acetamide Formula: C23H25ClN4O2S MolecularWeight: 456.9882

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)N2C(=NN=C2SCC(=O)NC3CCCCC3)C4=CC=CC=C4)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)N2C(=NN=C2SCC(=O)NC3CCCCC3)C4=CC=CC=C4)Cl

InChI

InChI=1S/C23H25ClN4O2S/c1-30-20-13-12-18(14-19(20)24)28-22(16-8-4-2-5-9-16)26-27-23(28)31-15-21(29)25-17-10-6-3-7-11-17/h2,4-5,8-9,12-14,17H,3,6-7,10-11,15H2,1H3,(H,25,29)