2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-nitro-2-oxidanyl-phenyl)ethanamide

Systemtic Name: 2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-nitro-2-oxidanyl-phenyl)ethanamide Openeye Name: N-(2-hydroxy-4-nitro-phenyl)-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-(2-hydroxy-4-nitrophenyl)-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(2-hydroxy-4-nitrophenyl)-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(2-hydroxy-4-nitro-phenyl)-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)thio]acetamide Formula: C17H15N5O4S MolecularWeight: 385.3971

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])O)C3=CC=CC=C3

Isomeric SMILES

CN1C(=NN=C1SCC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])O)C3=CC=CC=C3

InChI

InChI=1S/C17H15N5O4S/c1-21-16(11-5-3-2-4-6-11)19-20-17(21)27-10-15(24)18-13-8-7-12(22(25)26)9-14(13)23/h2-9,23H,10H2,1H3,(H,18,24)