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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)NC(=O)CSC1=NN=C(N1C2=CC=CC=C2)CN3CCCCC3

Isomeric SMILES

CCC(CC)NC(=O)CSC1=NN=C(N1C2=CC=CC=C2)CN3CCCCC3

InChI

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