N-hexyl-2-[[5-morpholin-4-yl-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: N-hexyl-2-[[5-morpholin-4-yl-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: 2-[(4-benzyl-5-morpholino-1,2,4-triazol-3-yl)sulfanyl]-N-hexyl-acetamide CAS Name: N-hexyl-2-[[5-(4-morpholinyl)-4-(phenylmethyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: 2-[(4-benzyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-hexylacetamide Traditional Name: 2-[(4-benzyl-5-morpholino-1,2,4-triazol-3-yl)thio]-N-hexyl-acetamide Formula: C21H31N5O2S MolecularWeight: 417.56814

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC(=O)CSC1=NN=C(N1CC2=CC=CC=C2)N3CCOCC3

Isomeric SMILES

CCCCCCNC(=O)CSC1=NN=C(N1CC2=CC=CC=C2)N3CCOCC3

InChI

InChI=1S/C21H31N5O2S/c1-2-3-4-8-11-22-19(27)17-29-21-24-23-20(25-12-14-28-15-13-25)26(21)16-18-9-6-5-7-10-18/h5-7,9-10H,2-4,8,11-17H2,1H3,(H,22,27)