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

Systemtic Name: 1-[4-(2-chloranyl-6-methyl-4-nitro-phenyl)sulfinylphenyl]-3-ethyl-1,3,5-triazinane-2,4,6-trione Openeye Name: 1-[4-(2-chloro-6-methyl-4-nitro-phenyl)sulfinylphenyl]-3-ethyl-1,3,5-triazinane-2,4,6-trione CAS Name: 1-[4-(2-chloro-6-methyl-4-nitrophenyl)sulfinylphenyl]-3-ethyl-1,3,5-triazinane-2,4,6-trione IUPAC Name: 1-[4-(2-chloro-6-methyl-4-nitrophenyl)sulfinylphenyl]-3-ethyl-1,3,5-triazinane-2,4,6-trione Traditional Name: 1-[4-(2-chloro-6-methyl-4-nitro-phenyl)sulfinylphenyl]-3-ethyl-isocyanuric acid Formula: C18H15ClN4O6S MolecularWeight: 450.8529

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)NC(=O)N(C1=O)C2=CC=C(C=C2)S(=O)C3=C(C=C(C=C3C)[N+](=O)[O-])Cl

Isomeric SMILES

CCN1C(=O)NC(=O)N(C1=O)C2=CC=C(C=C2)S(=O)C3=C(C=C(C=C3C)[N+](=O)[O-])Cl

InChI

InChI=1S/C18H15ClN4O6S/c1-3-21-16(24)20-17(25)22(18(21)26)11-4-6-13(7-5-11)30(29)15-10(2)8-12(23(27)28)9-14(15)19/h4-9H,3H2,1-2H3,(H,20,24,25)