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

Systemtic Name: 1-[3-chloranyl-4-(4-nitrophenyl)sulfanyl-phenyl]-3-methyl-1,3,5-triazinane-2,4,6-trione Openeye Name: 1-[3-chloro-4-(4-nitrophenyl)sulfanyl-phenyl]-3-methyl-1,3,5-triazinane-2,4,6-trione CAS Name: 1-[3-chloro-4-[(4-nitrophenyl)thio]phenyl]-3-methyl-1,3,5-triazinane-2,4,6-trione IUPAC Name: 1-[3-chloro-4-(4-nitrophenyl)sulfanylphenyl]-3-methyl-1,3,5-triazinane-2,4,6-trione Traditional Name: 1-[3-chloro-4-[(4-nitrophenyl)thio]phenyl]-3-methyl-isocyanuric acid Formula: C16H11ClN4O5S MolecularWeight: 406.80034

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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-])Cl

Isomeric SMILES

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

InChI

InChI=1S/C16H11ClN4O5S/c1-19-14(22)18-15(23)20(16(19)24)10-4-7-13(12(17)8-10)27-11-5-2-9(3-6-11)21(25)26/h2-8H,1H3,(H,18,22,23)