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

Systemtic Name: 1-[3-chloranyl-4-(4-nitrophenyl)sulfanyl-phenyl]-3-propyl-1,3,5-triazinane-2,4,6-trione Openeye Name: 1-[3-chloro-4-(4-nitrophenyl)sulfanyl-phenyl]-3-propyl-1,3,5-triazinane-2,4,6-trione CAS Name: 1-[3-chloro-4-[(4-nitrophenyl)thio]phenyl]-3-propyl-1,3,5-triazinane-2,4,6-trione IUPAC Name: 1-[3-chloro-4-(4-nitrophenyl)sulfanylphenyl]-3-propyl-1,3,5-triazinane-2,4,6-trione Traditional Name: 1-[3-chloro-4-[(4-nitrophenyl)thio]phenyl]-3-propyl-isocyanuric acid Formula: C18H15ClN4O5S MolecularWeight: 434.8535

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)NC(=O)N(C1=O)C2=CC(=C(C=C2)SC3=CC=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

CCCN1C(=O)NC(=O)N(C1=O)C2=CC(=C(C=C2)SC3=CC=C(C=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C18H15ClN4O5S/c1-2-9-21-16(24)20-17(25)22(18(21)26)12-5-8-15(14(19)10-12)29-13-6-3-11(4-7-13)23(27)28/h3-8,10H,2,9H2,1H3,(H,20,24,25)