N-(2-methyl-6-nitro-phenyl)-2-[[4-(oxolan-2-ylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: N-(2-methyl-6-nitro-phenyl)-2-[[4-(oxolan-2-ylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-(2-methyl-6-nitro-phenyl)-2-[[4-(tetrahydrofuran-2-ylmethyl)-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(2-methyl-6-nitrophenyl)-2-[[4-(2-oxolanylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(2-methyl-6-nitrophenyl)-2-[[4-(oxolan-2-ylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-(2-methyl-6-nitro-phenyl)-2-[[4-(tetrahydrofurfuryl)-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C20H21N5O4S2 MolecularWeight: 459.54184

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)[N+](=O)[O-])NC(=O)CSC2=NN=C(N2CC3CCCO3)C4=CC=CS4

Isomeric SMILES

CC1=C(C(=CC=C1)[N+](=O)[O-])NC(=O)CSC2=NN=C(N2CC3CCCO3)C4=CC=CS4

InChI

InChI=1S/C20H21N5O4S2/c1-13-5-2-7-15(25(27)28)18(13)21-17(26)12-31-20-23-22-19(16-8-4-10-30-16)24(20)11-14-6-3-9-29-14/h2,4-5,7-8,10,14H,3,6,9,11-12H2,1H3,(H,21,26)