2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-[(2R)-octan-2-yl]ethanamide

Systemtic Name: 2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-[(2R)-octan-2-yl]ethanamide Openeye Name: 2-[[4-ethyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(1R)-1-methylheptyl]acetamide CAS Name: 2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]-N-[(2R)-octan-2-yl]acetamide IUPAC Name: 2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-[(2R)-octan-2-yl]acetamide Traditional Name: 2-[[4-ethyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]-N-[(1R)-1-methylheptyl]acetamide Formula: C18H28N4OS2 MolecularWeight: 380.57112

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)NC(=O)CSC1=NN=C(N1CC)C2=CC=CS2

Isomeric SMILES

CCCCCC[C@@H](C)NC(=O)CSC1=NN=C(N1CC)C2=CC=CS2

InChI

InChI=1S/C18H28N4OS2/c1-4-6-7-8-10-14(3)19-16(23)13-25-18-21-20-17(22(18)5-2)15-11-9-12-24-15/h9,11-12,14H,4-8,10,13H2,1-3H3,(H,19,23)/t14-/m1/s1