1-[4-(4-nitrophenyl)sulfanylphenyl]-3-propan-2-yl-1,3,5-triazinane-2,4,6-trione

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=O)NC(=O)N(C1=O)C2=CC=C(C=C2)SC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)N1C(=O)NC(=O)N(C1=O)C2=CC=C(C=C2)SC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H16N4O5S/c1-11(2)20-16(23)19-17(24)21(18(20)25)12-3-7-14(8-4-12)28-15-9-5-13(6-10-15)22(26)27/h3-11H,1-2H3,(H,19,23,24)