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

Systemtic Name: 2-[[4-methyl-5-[(4-nitrophenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: 2-[[4-methyl-5-[(4-nitrophenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: 2-[[4-methyl-5-[(4-nitrophenoxy)methyl]-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: 2-[[4-methyl-5-[(4-nitrophenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: 2-[[4-methyl-5-[(4-nitrophenoxy)methyl]-1,2,4-triazol-3-yl]thio]acetamide Formula: C12H13N5O4S MolecularWeight: 323.32772

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)N)COC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CN1C(=NN=C1SCC(=O)N)COC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C12H13N5O4S/c1-16-11(14-15-12(16)22-7-10(13)18)6-21-9-4-2-8(3-5-9)17(19)20/h2-5H,6-7H2,1H3,(H2,13,18)