2-[[4-azanyl-5-(2-cyclohexylethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenethyl-ethanamide

Systemtic Name: 2-[[4-azanyl-5-(2-cyclohexylethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenethyl-ethanamide Openeye Name: 2-[[4-amino-5-(2-cyclohexylethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenethyl-acetamide CAS Name: 2-[[4-amino-5-(2-cyclohexylethyl)-1,2,4-triazol-3-yl]thio]-N-phenethylacetamide IUPAC Name: 2-[[4-amino-5-(2-cyclohexylethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenethylacetamide Traditional Name: 2-[[4-amino-5-(2-cyclohexylethyl)-1,2,4-triazol-3-yl]thio]-N-phenethyl-acetamide Formula: C20H29N5OS MolecularWeight: 387.54216

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CCC2=NN=C(N2N)SCC(=O)NCCC3=CC=CC=C3

Isomeric SMILES

C1CCC(CC1)CCC2=NN=C(N2N)SCC(=O)NCCC3=CC=CC=C3

InChI

InChI=1S/C20H29N5OS/c21-25-18(12-11-16-7-3-1-4-8-16)23-24-20(25)27-15-19(26)22-14-13-17-9-5-2-6-10-17/h2,5-6,9-10,16H,1,3-4,7-8,11-15,21H2,(H,22,26)