2-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(1-phenylbutyl)propanamide

Systemtic Name: 2-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(1-phenylbutyl)propanamide Openeye Name: 2-[[4-ethyl-5-(2-furyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(1-phenylbutyl)propanamide CAS Name: 2-[[4-ethyl-5-(2-furanyl)-1,2,4-triazol-3-yl]thio]-N-(1-phenylbutyl)propanamide IUPAC Name: 2-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(1-phenylbutyl)propanamide Traditional Name: 2-[[4-ethyl-5-(2-furyl)-1,2,4-triazol-3-yl]thio]-N-(1-phenylbutyl)propionamide Formula: C21H26N4O2S MolecularWeight: 398.52174

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=CC=CC=C1)NC(=O)C(C)SC2=NN=C(N2CC)C3=CC=CO3

Isomeric SMILES

CCCC(C1=CC=CC=C1)NC(=O)C(C)SC2=NN=C(N2CC)C3=CC=CO3

InChI

InChI=1S/C21H26N4O2S/c1-4-10-17(16-11-7-6-8-12-16)22-20(26)15(3)28-21-24-23-19(25(21)5-2)18-13-9-14-27-18/h6-9,11-15,17H,4-5,10H2,1-3H3,(H,22,26)