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

Systemtic Name: N-[3-(4-ethoxyphenoxy)-5-nitro-phenyl]-2-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-[3-(4-ethoxyphenoxy)-5-nitro-phenyl]-2-[(5-isopropyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-[3-(4-ethoxyphenoxy)-5-nitrophenyl]-2-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-[3-(4-ethoxyphenoxy)-5-nitrophenyl]-2-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-[3-(4-ethoxyphenoxy)-5-nitro-phenyl]-2-[(5-isopropyl-1H-1,2,4-triazol-3-yl)thio]acetamide Formula: C21H23N5O5S MolecularWeight: 457.50282

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)OC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)CSC3=NNC(=N3)C(C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)OC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)CSC3=NNC(=N3)C(C)C

InChI

InChI=1S/C21H23N5O5S/c1-4-30-16-5-7-17(8-6-16)31-18-10-14(9-15(11-18)26(28)29)22-19(27)12-32-21-23-20(13(2)3)24-25-21/h5-11,13H,4,12H2,1-3H3,(H,22,27)(H,23,24,25)