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

Systemtic Name: 1-[4-(2,6-dimethyl-4-nitro-phenyl)sulfanylphenyl]-3-propyl-1,3,5-triazinane-2,4,6-trione Openeye Name: 1-[4-(2,6-dimethyl-4-nitro-phenyl)sulfanylphenyl]-3-propyl-1,3,5-triazinane-2,4,6-trione CAS Name: 1-[4-[(2,6-dimethyl-4-nitrophenyl)thio]phenyl]-3-propyl-1,3,5-triazinane-2,4,6-trione IUPAC Name: 1-[4-(2,6-dimethyl-4-nitrophenyl)sulfanylphenyl]-3-propyl-1,3,5-triazinane-2,4,6-trione Traditional Name: 1-[4-[(2,6-dimethyl-4-nitro-phenyl)thio]phenyl]-3-propyl-isocyanuric acid Formula: C20H20N4O5S MolecularWeight: 428.4616

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)NC(=O)N(C1=O)C2=CC=C(C=C2)SC3=C(C=C(C=C3C)[N+](=O)[O-])C

Isomeric SMILES

CCCN1C(=O)NC(=O)N(C1=O)C2=CC=C(C=C2)SC3=C(C=C(C=C3C)[N+](=O)[O-])C

InChI

InChI=1S/C20H20N4O5S/c1-4-9-22-18(25)21-19(26)23(20(22)27)14-5-7-16(8-6-14)30-17-12(2)10-15(24(28)29)11-13(17)3/h5-8,10-11H,4,9H2,1-3H3,(H,21,25,26)