N-cyclohexyl-2-[[4-(phenylmethyl)-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: N-cyclohexyl-2-[[4-(phenylmethyl)-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: 2-[[4-benzyl-5-(1-piperidylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-cyclohexyl-acetamide CAS Name: N-cyclohexyl-2-[[4-(phenylmethyl)-5-(1-piperidinylmethyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: 2-[[4-benzyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-cyclohexylacetamide Traditional Name: 2-[[4-benzyl-5-(piperidinomethyl)-1,2,4-triazol-3-yl]thio]-N-cyclohexyl-acetamide Formula: C23H33N5OS MolecularWeight: 427.60602

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)CSC2=NN=C(N2CC3=CC=CC=C3)CN4CCCCC4

Isomeric SMILES

C1CCC(CC1)NC(=O)CSC2=NN=C(N2CC3=CC=CC=C3)CN4CCCCC4

InChI

InChI=1S/C23H33N5OS/c29-22(24-20-12-6-2-7-13-20)18-30-23-26-25-21(17-27-14-8-3-9-15-27)28(23)16-19-10-4-1-5-11-19/h1,4-5,10-11,20H,2-3,6-9,12-18H2,(H,24,29)