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

Systemtic Name: N-tert-butyl-2-[[4-phenyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide Openeye Name: N-tert-butyl-2-[[4-phenyl-5-(1-piperidylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide CAS Name: N-tert-butyl-2-[[4-phenyl-5-(1-piperidinylmethyl)-1,2,4-triazol-3-yl]thio]propanamide IUPAC Name: N-tert-butyl-2-[[4-phenyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide Traditional Name: N-tert-butyl-2-[[4-phenyl-5-(piperidinomethyl)-1,2,4-triazol-3-yl]thio]propionamide Formula: C21H31N5OS MolecularWeight: 401.56874

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(C)(C)C)SC1=NN=C(N1C2=CC=CC=C2)CN3CCCCC3

Isomeric SMILES

CC(C(=O)NC(C)(C)C)SC1=NN=C(N1C2=CC=CC=C2)CN3CCCCC3

InChI

InChI=1S/C21H31N5OS/c1-16(19(27)22-21(2,3)4)28-20-24-23-18(15-25-13-9-6-10-14-25)26(20)17-11-7-5-8-12-17/h5,7-8,11-12,16H,6,9-10,13-15H2,1-4H3,(H,22,27)