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

Systemtic Name: 1-azanyl-3-[4-(4-nitrophenyl)sulfanylphenyl]-1,3,5-triazinane-2,4,6-trione Openeye Name: 1-amino-3-[4-(4-nitrophenyl)sulfanylphenyl]-1,3,5-triazinane-2,4,6-trione CAS Name: 1-amino-3-[4-[(4-nitrophenyl)thio]phenyl]-1,3,5-triazinane-2,4,6-trione IUPAC Name: 1-amino-3-[4-(4-nitrophenyl)sulfanylphenyl]-1,3,5-triazinane-2,4,6-trione Traditional Name: 1-amino-3-[4-[(4-nitrophenyl)thio]phenyl]isocyanuric acid Formula: C15H11N5O5S MolecularWeight: 373.34334

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N2C(=O)NC(=O)N(C2=O)N)SC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1N2C(=O)NC(=O)N(C2=O)N)SC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C15H11N5O5S/c16-19-14(22)17-13(21)18(15(19)23)9-1-5-11(6-2-9)26-12-7-3-10(4-8-12)20(24)25/h1-8H,16H2,(H,17,21,22)