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

Systemtic Name: 1-[4-(2-chloranyl-4-nitro-phenyl)sulfanylphenyl]-3-methyl-1,3,5-triazinane-2,4,6-trione Openeye Name: 1-[4-(2-chloro-4-nitro-phenyl)sulfanylphenyl]-3-methyl-1,3,5-triazinane-2,4,6-trione CAS Name: 1-[4-[(2-chloro-4-nitrophenyl)thio]phenyl]-3-methyl-1,3,5-triazinane-2,4,6-trione IUPAC Name: 1-[4-(2-chloro-4-nitrophenyl)sulfanylphenyl]-3-methyl-1,3,5-triazinane-2,4,6-trione Traditional Name: 1-[4-[(2-chloro-4-nitro-phenyl)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=C(C=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

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

InChI

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