1-[3-chloranyl-4-(4-nitrophenyl)sulfanyl-phenyl]-3-ethyl-1,3,5-triazinane-2,4,6-trione

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)NC(=O)N(C1=O)C2=CC(=C(C=C2)SC3=CC=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

CCN1C(=O)NC(=O)N(C1=O)C2=CC(=C(C=C2)SC3=CC=C(C=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C17H13ClN4O5S/c1-2-20-15(23)19-16(24)21(17(20)25)11-5-8-14(13(18)9-11)28-12-6-3-10(4-7-12)22(26)27/h3-9H,2H2,1H3,(H,19,23,24)