(3E)-N-(1-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)-3-[(4-nitrophenyl)methoxyimino]propanamide

Systemtic Name: (3E)-N-(1-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)-3-[(4-nitrophenyl)methoxyimino]propanamide Openeye Name: (3E)-N-(1-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)-3-[(4-nitrophenyl)methoxyimino]propanamide CAS Name: (3E)-N-[1-methyl-5-(methylthio)-1,2,4-triazol-3-yl]-3-[(4-nitrophenyl)methoxyimino]propanamide IUPAC Name: (3E)-N-(1-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)-3-[(4-nitrophenyl)methoxyimino]propanamide Traditional Name: (3E)-N-[1-methyl-5-(methylthio)-1,2,4-triazol-3-yl]-3-(4-nitrobenzyl)oximino-propionamide Formula: C14H16N6O4S MolecularWeight: 364.37964

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NC(=N1)NC(=O)CC=NOCC2=CC=C(C=C2)[N+](=O)[O-])SC

Isomeric SMILES

CN1C(=NC(=N1)NC(=O)C/C=N/OCC2=CC=C(C=C2)[N+](=O)[O-])SC

InChI

InChI=1S/C14H16N6O4S/c1-19-14(25-2)17-13(18-19)16-12(21)7-8-15-24-9-10-3-5-11(6-4-10)20(22)23/h3-6,8H,7,9H2,1-2H3,(H,16,18,21)/b15-8+