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

Systemtic Name: 1-ethoxy-3-[4-(4-nitrophenyl)sulfanylphenyl]-1,3,5-triazinane-2,4,6-trione Openeye Name: 1-ethoxy-3-[4-(4-nitrophenyl)sulfanylphenyl]-1,3,5-triazinane-2,4,6-trione CAS Name: 1-ethoxy-3-[4-[(4-nitrophenyl)thio]phenyl]-1,3,5-triazinane-2,4,6-trione IUPAC Name: 1-ethoxy-3-[4-(4-nitrophenyl)sulfanylphenyl]-1,3,5-triazinane-2,4,6-trione Traditional Name: 1-ethoxy-3-[4-[(4-nitrophenyl)thio]phenyl]isocyanuric acid Formula: C17H14N4O6S MolecularWeight: 402.38126

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Descriptors Computed from Structure

Canonical SMILES:

CCON1C(=O)NC(=O)N(C1=O)C2=CC=C(C=C2)SC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCON1C(=O)NC(=O)N(C1=O)C2=CC=C(C=C2)SC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H14N4O6S/c1-2-27-20-16(23)18-15(22)19(17(20)24)11-3-7-13(8-4-11)28-14-9-5-12(6-10-14)21(25)26/h3-10H,2H2,1H3,(H,18,22,23)