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

Systemtic Name: 2-[[5-(4-acetamidophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-cyclohexyl-ethanamide Openeye Name: 2-[[5-(4-acetamidophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-cyclohexyl-acetamide CAS Name: 2-[[5-(4-acetamidophenyl)-4-methyl-1,2,4-triazol-3-yl]thio]-N-cyclohexylacetamide IUPAC Name: 2-[[5-(4-acetamidophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-cyclohexylacetamide Traditional Name: 2-[[5-(4-acetamidophenyl)-4-methyl-1,2,4-triazol-3-yl]thio]-N-cyclohexyl-acetamide Formula: C19H25N5O2S MolecularWeight: 387.4991

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)C2=NN=C(N2C)SCC(=O)NC3CCCCC3

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)C2=NN=C(N2C)SCC(=O)NC3CCCCC3

InChI

InChI=1S/C19H25N5O2S/c1-13(25)20-16-10-8-14(9-11-16)18-22-23-19(24(18)2)27-12-17(26)21-15-6-4-3-5-7-15/h8-11,15H,3-7,12H2,1-2H3,(H,20,25)(H,21,26)