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

Systemtic Name: N-cycloheptyl-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-cycloheptyl-acetamide CAS Name: N-cycloheptyl-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-cycloheptylacetamide Traditional Name: 2-[[4-benzyl-5-(piperidinomethyl)-1,2,4-triazol-3-yl]thio]-N-cycloheptyl-acetamide Formula: C24H35N5OS MolecularWeight: 441.6326

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)NC(=O)CSC2=NN=C(N2CC3=CC=CC=C3)CN4CCCCC4

Isomeric SMILES

C1CCCC(CC1)NC(=O)CSC2=NN=C(N2CC3=CC=CC=C3)CN4CCCCC4

InChI

InChI=1S/C24H35N5OS/c30-23(25-21-13-7-1-2-8-14-21)19-31-24-27-26-22(18-28-15-9-4-10-16-28)29(24)17-20-11-5-3-6-12-20/h3,5-6,11-12,21H,1-2,4,7-10,13-19H2,(H,25,30)