1-ethyl-3-[4-(4-nitrophenyl)sulfanylphenyl]-1,3,5-triazinane-2,4,6-trione

Systemtic Name: 1-ethyl-3-[4-(4-nitrophenyl)sulfanylphenyl]-1,3,5-triazinane-2,4,6-trione Openeye Name: 1-ethyl-3-[4-(4-nitrophenyl)sulfanylphenyl]-1,3,5-triazinane-2,4,6-trione CAS Name: 1-ethyl-3-[4-[(4-nitrophenyl)thio]phenyl]-1,3,5-triazinane-2,4,6-trione IUPAC Name: 1-ethyl-3-[4-(4-nitrophenyl)sulfanylphenyl]-1,3,5-triazinane-2,4,6-trione Traditional Name: 1-ethyl-3-[4-[(4-nitrophenyl)thio]phenyl]isocyanuric acid Formula: C17H14N4O5S MolecularWeight: 386.38186

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)NC(=O)N(C1=O)C2=CC=C(C=C2)SC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCN1C(=O)NC(=O)N(C1=O)C2=CC=C(C=C2)SC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H14N4O5S/c1-2-19-15(22)18-16(23)20(17(19)24)11-3-7-13(8-4-11)27-14-9-5-12(6-10-14)21(25)26/h3-10H,2H2,1H3,(H,18,22,23)