N-(2-ethanoylphenyl)-2-[[4-(oxolan-2-ylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: N-(2-ethanoylphenyl)-2-[[4-(oxolan-2-ylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-(2-acetylphenyl)-2-[[4-(tetrahydrofuran-2-ylmethyl)-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(2-acetylphenyl)-2-[[4-(2-oxolanylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(2-acetylphenyl)-2-[[4-(oxolan-2-ylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-(2-acetylphenyl)-2-[[4-(tetrahydrofurfuryl)-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C21H22N4O3S2 MolecularWeight: 442.55438

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=CC=C1NC(=O)CSC2=NN=C(N2CC3CCCO3)C4=CC=CS4

Isomeric SMILES

CC(=O)C1=CC=CC=C1NC(=O)CSC2=NN=C(N2CC3CCCO3)C4=CC=CS4

InChI

InChI=1S/C21H22N4O3S2/c1-14(26)16-7-2-3-8-17(16)22-19(27)13-30-21-24-23-20(18-9-5-11-29-18)25(21)12-15-6-4-10-28-15/h2-3,5,7-9,11,15H,4,6,10,12-13H2,1H3,(H,22,27)