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

Systemtic Name: N-(4-ethoxy-2-nitro-phenyl)-2-[[4-(oxolan-2-ylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-(4-ethoxy-2-nitro-phenyl)-2-[[4-(tetrahydrofuran-2-ylmethyl)-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(4-ethoxy-2-nitrophenyl)-2-[[4-(2-oxolanylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(4-ethoxy-2-nitrophenyl)-2-[[4-(oxolan-2-ylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-(4-ethoxy-2-nitro-phenyl)-2-[[4-(tetrahydrofurfuryl)-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C21H23N5O5S2 MolecularWeight: 489.56782

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1)NC(=O)CSC2=NN=C(N2CC3CCCO3)C4=CC=CS4)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC(=C(C=C1)NC(=O)CSC2=NN=C(N2CC3CCCO3)C4=CC=CS4)[N+](=O)[O-]

InChI

InChI=1S/C21H23N5O5S2/c1-2-30-14-7-8-16(17(11-14)26(28)29)22-19(27)13-33-21-24-23-20(18-6-4-10-32-18)25(21)12-15-5-3-9-31-15/h4,6-8,10-11,15H,2-3,5,9,12-13H2,1H3,(H,22,27)