N-[1-ethanoyl-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]ethanamide

Systemtic Name: N-[1-ethanoyl-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]ethanamide Openeye Name: N-[1-acetyl-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]acetamide CAS Name: N-[1-acetyl-5-[(4-nitrophenyl)methylthio]-1,2,4-triazol-3-yl]acetamide IUPAC Name: N-[1-acetyl-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]acetamide Traditional Name: N-[1-acetyl-5-[(4-nitrobenzyl)thio]-1,2,4-triazol-3-yl]acetamide Formula: C13H13N5O4S MolecularWeight: 335.33842

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=NN(C(=N1)SCC2=CC=C(C=C2)[N+](=O)[O-])C(=O)C

Isomeric SMILES

CC(=O)NC1=NN(C(=N1)SCC2=CC=C(C=C2)[N+](=O)[O-])C(=O)C

InChI

InChI=1S/C13H13N5O4S/c1-8(19)14-12-15-13(17(16-12)9(2)20)23-7-10-3-5-11(6-4-10)18(21)22/h3-6H,7H2,1-2H3,(H,14,16,19)