2-[[4-(3-fluorophenyl)-5-morpholin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-piperidin-1-ylphenyl)ethanamide

Systemtic Name: 2-[[4-(3-fluorophenyl)-5-morpholin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-piperidin-1-ylphenyl)ethanamide Openeye Name: 2-[[4-(3-fluorophenyl)-5-morpholino-1,2,4-triazol-3-yl]sulfanyl]-N-[4-(1-piperidyl)phenyl]acetamide CAS Name: 2-[[4-(3-fluorophenyl)-5-(4-morpholinyl)-1,2,4-triazol-3-yl]thio]-N-[4-(1-piperidinyl)phenyl]acetamide IUPAC Name: 2-[[4-(3-fluorophenyl)-5-morpholin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-piperidin-1-ylphenyl)acetamide Traditional Name: 2-[[4-(3-fluorophenyl)-5-morpholino-1,2,4-triazol-3-yl]thio]-N-(4-piperidinophenyl)acetamide Formula: C25H29FN6O2S MolecularWeight: 496.600163

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=CC=C(C=C2)NC(=O)CSC3=NN=C(N3C4=CC(=CC=C4)F)N5CCOCC5

Isomeric SMILES

C1CCN(CC1)C2=CC=C(C=C2)NC(=O)CSC3=NN=C(N3C4=CC(=CC=C4)F)N5CCOCC5

InChI

InChI=1S/C25H29FN6O2S/c26-19-5-4-6-22(17-19)32-24(31-13-15-34-16-14-31)28-29-25(32)35-18-23(33)27-20-7-9-21(10-8-20)30-11-2-1-3-12-30/h4-10,17H,1-3,11-16,18H2,(H,27,33)