5-[3-(4-nitrophenyl)-3-oxidanylidene-1-phenyl-propyl]-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: 5-[3-(4-nitrophenyl)-3-oxidanylidene-1-phenyl-propyl]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 5-[3-(4-nitrophenyl)-3-oxo-1-phenyl-propyl]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-[3-(4-nitrophenyl)-3-oxo-1-phenylpropyl]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-[3-(4-nitrophenyl)-3-oxo-1-phenylpropyl]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 5-[3-keto-3-(4-nitrophenyl)-1-phenyl-propyl]-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C19H15N3O5S MolecularWeight: 397.4045

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CC(=O)C2=CC=C(C=C2)[N+](=O)[O-])C3C(=O)NC(=S)NC3=O

Isomeric SMILES

C1=CC=C(C=C1)C(CC(=O)C2=CC=C(C=C2)[N+](=O)[O-])C3C(=O)NC(=S)NC3=O

InChI

InChI=1S/C19H15N3O5S/c23-15(12-6-8-13(9-7-12)22(26)27)10-14(11-4-2-1-3-5-11)16-17(24)20-19(28)21-18(16)25/h1-9,14,16H,10H2,(H2,20,21,24,25,28)