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

Systemtic Name: 1-[4-(2,6-dimethyl-4-nitro-phenyl)sulfanylphenyl]-3-methyl-1,3,5-triazinane-2,4,6-trione Openeye Name: 1-[4-(2,6-dimethyl-4-nitro-phenyl)sulfanylphenyl]-3-methyl-1,3,5-triazinane-2,4,6-trione CAS Name: 1-[4-[(2,6-dimethyl-4-nitrophenyl)thio]phenyl]-3-methyl-1,3,5-triazinane-2,4,6-trione IUPAC Name: 1-[4-(2,6-dimethyl-4-nitrophenyl)sulfanylphenyl]-3-methyl-1,3,5-triazinane-2,4,6-trione Traditional Name: 1-[4-[(2,6-dimethyl-4-nitro-phenyl)thio]phenyl]-3-methyl-isocyanuric acid Formula: C18H16N4O5S MolecularWeight: 400.40844

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16N4O5S/c1-10-8-13(22(26)27)9-11(2)15(10)28-14-6-4-12(5-7-14)21-17(24)19-16(23)20(3)18(21)25/h4-9H,1-3H3,(H,19,23,24)