2-[[5-(2-ethoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methoxy-2-nitro-phenyl)ethanamide

Systemtic Name: 2-[[5-(2-ethoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methoxy-2-nitro-phenyl)ethanamide Openeye Name: 2-[[5-(2-ethoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methoxy-2-nitro-phenyl)acetamide CAS Name: 2-[[5-(2-ethoxyphenyl)-1H-1,2,4-triazol-3-yl]thio]-N-(4-methoxy-2-nitrophenyl)acetamide IUPAC Name: 2-[[5-(2-ethoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methoxy-2-nitrophenyl)acetamide Traditional Name: N-(4-methoxy-2-nitro-phenyl)-2-[(5-o-phenetyl-1H-1,2,4-triazol-3-yl)thio]acetamide Formula: C19H19N5O5S MolecularWeight: 429.44966

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C2=NC(=NN2)SCC(=O)NC3=C(C=C(C=C3)OC)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC=CC=C1C2=NC(=NN2)SCC(=O)NC3=C(C=C(C=C3)OC)[N+](=O)[O-]

InChI

InChI=1S/C19H19N5O5S/c1-3-29-16-7-5-4-6-13(16)18-21-19(23-22-18)30-11-17(25)20-14-9-8-12(28-2)10-15(14)24(26)27/h4-10H,3,11H2,1-2H3,(H,20,25)(H,21,22,23)