2-[[4-methyl-5-[(4-nitrophenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-naphthalen-1-yl-ethanamide

Systemtic Name: 2-[[4-methyl-5-[(4-nitrophenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-naphthalen-1-yl-ethanamide Openeye Name: 2-[[4-methyl-5-[(4-nitrophenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(1-naphthyl)acetamide CAS Name: 2-[[4-methyl-5-[(4-nitrophenoxy)methyl]-1,2,4-triazol-3-yl]thio]-N-(1-naphthalenyl)acetamide IUPAC Name: 2-[[4-methyl-5-[(4-nitrophenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-naphthalen-1-ylacetamide Traditional Name: 2-[[4-methyl-5-[(4-nitrophenoxy)methyl]-1,2,4-triazol-3-yl]thio]-N-(1-naphthyl)acetamide Formula: C22H19N5O4S MolecularWeight: 449.48236

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)NC2=CC=CC3=CC=CC=C32)COC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CN1C(=NN=C1SCC(=O)NC2=CC=CC3=CC=CC=C32)COC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H19N5O4S/c1-26-20(13-31-17-11-9-16(10-12-17)27(29)30)24-25-22(26)32-14-21(28)23-19-8-4-6-15-5-2-3-7-18(15)19/h2-12H,13-14H2,1H3,(H,23,28)