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

Systemtic Name: 1-butyl-3-[4-(4-nitrophenyl)sulfanylphenyl]-1,3,5-triazinane-2,4,6-trione Openeye Name: 1-butyl-3-[4-(4-nitrophenyl)sulfanylphenyl]-1,3,5-triazinane-2,4,6-trione CAS Name: 1-butyl-3-[4-[(4-nitrophenyl)thio]phenyl]-1,3,5-triazinane-2,4,6-trione IUPAC Name: 1-butyl-3-[4-(4-nitrophenyl)sulfanylphenyl]-1,3,5-triazinane-2,4,6-trione Traditional Name: 1-butyl-3-[4-[(4-nitrophenyl)thio]phenyl]isocyanuric acid Formula: C19H18N4O5S MolecularWeight: 414.43502

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)NC(=O)N(C1=O)C2=CC=C(C=C2)SC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCCCN1C(=O)NC(=O)N(C1=O)C2=CC=C(C=C2)SC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H18N4O5S/c1-2-3-12-21-17(24)20-18(25)22(19(21)26)13-4-8-15(9-5-13)29-16-10-6-14(7-11-16)23(27)28/h4-11H,2-3,12H2,1H3,(H,20,24,25)