2-[[4-cyclohexyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-quinolin-5-yl-propanamide

Systemtic Name: 2-[[4-cyclohexyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-quinolin-5-yl-propanamide Openeye Name: 2-[[4-cyclohexyl-5-(2-thienylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(5-quinolyl)propanamide CAS Name: 2-[[4-cyclohexyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]thio]-N-(5-quinolinyl)propanamide IUPAC Name: 2-[[4-cyclohexyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-quinolin-5-ylpropanamide Traditional Name: 2-[[4-cyclohexyl-5-(2-thenyl)-1,2,4-triazol-3-yl]thio]-N-(5-quinolyl)propionamide Formula: C25H27N5OS2 MolecularWeight: 477.64478

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC2=C1C=CC=N2)SC3=NN=C(N3C4CCCCC4)CC5=CC=CS5

Isomeric SMILES

CC(C(=O)NC1=CC=CC2=C1C=CC=N2)SC3=NN=C(N3C4CCCCC4)CC5=CC=CS5

InChI

InChI=1S/C25H27N5OS2/c1-17(24(31)27-22-13-5-12-21-20(22)11-6-14-26-21)33-25-29-28-23(16-19-10-7-15-32-19)30(25)18-8-3-2-4-9-18/h5-7,10-15,17-18H,2-4,8-9,16H2,1H3,(H,27,31)