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

Systemtic Name: 1-methyl-3-[4-(4-nitrophenyl)sulfanylphenyl]-1,3,5-triazinane-2,4,6-trione Openeye Name: 1-methyl-3-[4-(4-nitrophenyl)sulfanylphenyl]-1,3,5-triazinane-2,4,6-trione CAS Name: 1-methyl-3-[4-[(4-nitrophenyl)thio]phenyl]-1,3,5-triazinane-2,4,6-trione IUPAC Name: 1-methyl-3-[4-(4-nitrophenyl)sulfanylphenyl]-1,3,5-triazinane-2,4,6-trione Traditional Name: 1-methyl-3-[4-[(4-nitrophenyl)thio]phenyl]isocyanuric acid Formula: C16H12N4O5S MolecularWeight: 372.35528

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)NC(=O)N(C1=O)C2=CC=C(C=C2)SC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CN1C(=O)NC(=O)N(C1=O)C2=CC=C(C=C2)SC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H12N4O5S/c1-18-14(21)17-15(22)19(16(18)23)10-2-6-12(7-3-10)26-13-8-4-11(5-9-13)20(24)25/h2-9H,1H3,(H,17,21,22)