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

Systemtic Name: 2-[[4-phenyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(thiophen-2-ylmethyl)propanamide Openeye Name: 2-[[4-phenyl-5-(1-piperidylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-thienylmethyl)propanamide CAS Name: 2-[[4-phenyl-5-(1-piperidinylmethyl)-1,2,4-triazol-3-yl]thio]-N-(thiophen-2-ylmethyl)propanamide IUPAC Name: 2-[[4-phenyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(thiophen-2-ylmethyl)propanamide Traditional Name: 2-[[4-phenyl-5-(piperidinomethyl)-1,2,4-triazol-3-yl]thio]-N-(2-thenyl)propionamide Formula: C22H27N5OS2 MolecularWeight: 441.61268

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=CS1)SC2=NN=C(N2C3=CC=CC=C3)CN4CCCCC4

Isomeric SMILES

CC(C(=O)NCC1=CC=CS1)SC2=NN=C(N2C3=CC=CC=C3)CN4CCCCC4

InChI

InChI=1S/C22H27N5OS2/c1-17(21(28)23-15-19-11-8-14-29-19)30-22-25-24-20(16-26-12-6-3-7-13-26)27(22)18-9-4-2-5-10-18/h2,4-5,8-11,14,17H,3,6-7,12-13,15-16H2,1H3,(H,23,28)