1-(4-methoxy-3-nitro-phenyl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone

Systemtic Name: 1-(4-methoxy-3-nitro-phenyl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone Openeye Name: 1-(4-methoxy-3-nitro-phenyl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone CAS Name: 1-(4-methoxy-3-nitrophenyl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]ethanone IUPAC Name: 1-(4-methoxy-3-nitrophenyl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 1-(4-methoxy-3-nitro-phenyl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]ethanone Formula: C17H14N4O4S MolecularWeight: 370.38246

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)CSC2=NNC(=N2)C3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)CSC2=NNC(=N2)C3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H14N4O4S/c1-25-15-8-7-12(9-13(15)21(23)24)14(22)10-26-17-18-16(19-20-17)11-5-3-2-4-6-11/h2-9H,10H2,1H3,(H,18,19,20)