1-(4-methoxy-3-nitro-phenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanone

Systemtic Name: 1-(4-methoxy-3-nitro-phenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanone Openeye Name: 1-(4-methoxy-3-nitro-phenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanone CAS Name: 1-(4-methoxy-3-nitrophenyl)-2-(1H-1,2,4-triazol-5-ylthio)ethanone IUPAC Name: 1-(4-methoxy-3-nitrophenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanone Traditional Name: 1-(4-methoxy-3-nitro-phenyl)-2-(1H-1,2,4-triazol-5-ylthio)ethanone Formula: C11H10N4O4S MolecularWeight: 294.2865

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)CSC2=NC=NN2)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)CSC2=NC=NN2)[N+](=O)[O-]

InChI

InChI=1S/C11H10N4O4S/c1-19-10-3-2-7(4-8(10)15(17)18)9(16)5-20-11-12-6-13-14-11/h2-4,6H,5H2,1H3,(H,12,13,14)