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

Systemtic Name: 2-[[5-(furan-2-yl)-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-hexyl-ethanamide Openeye Name: 2-[[4-benzyl-5-(2-furyl)-1,2,4-triazol-3-yl]sulfanyl]-N-hexyl-acetamide CAS Name: 2-[[5-(2-furanyl)-4-(phenylmethyl)-1,2,4-triazol-3-yl]thio]-N-hexylacetamide IUPAC Name: 2-[[4-benzyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-hexylacetamide Traditional Name: 2-[[4-benzyl-5-(2-furyl)-1,2,4-triazol-3-yl]thio]-N-hexyl-acetamide Formula: C21H26N4O2S MolecularWeight: 398.52174

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC(=O)CSC1=NN=C(N1CC2=CC=CC=C2)C3=CC=CO3

Isomeric SMILES

CCCCCCNC(=O)CSC1=NN=C(N1CC2=CC=CC=C2)C3=CC=CO3

InChI

InChI=1S/C21H26N4O2S/c1-2-3-4-8-13-22-19(26)16-28-21-24-23-20(18-12-9-14-27-18)25(21)15-17-10-6-5-7-11-17/h5-7,9-12,14H,2-4,8,13,15-16H2,1H3,(H,22,26)