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

Systemtic Name: 1-[4-(2-chloranyl-6-methyl-4-nitro-phenyl)sulfanylphenyl]-3-methyl-1,3,5-triazinane-2,4,6-trione Openeye Name: 1-[4-(2-chloro-6-methyl-4-nitro-phenyl)sulfanylphenyl]-3-methyl-1,3,5-triazinane-2,4,6-trione CAS Name: 1-[4-[(2-chloro-6-methyl-4-nitrophenyl)thio]phenyl]-3-methyl-1,3,5-triazinane-2,4,6-trione IUPAC Name: 1-[4-(2-chloro-6-methyl-4-nitrophenyl)sulfanylphenyl]-3-methyl-1,3,5-triazinane-2,4,6-trione Traditional Name: 1-[4-[(2-chloro-6-methyl-4-nitro-phenyl)thio]phenyl]-3-methyl-isocyanuric acid Formula: C17H13ClN4O5S MolecularWeight: 420.82692

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1SC2=CC=C(C=C2)N3C(=O)NC(=O)N(C3=O)C)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC(=C1SC2=CC=C(C=C2)N3C(=O)NC(=O)N(C3=O)C)Cl)[N+](=O)[O-]

InChI

InChI=1S/C17H13ClN4O5S/c1-9-7-11(22(26)27)8-13(18)14(9)28-12-5-3-10(4-6-12)21-16(24)19-15(23)20(2)17(21)25/h3-8H,1-2H3,(H,19,23,24)