2-[(4-nitrophenyl)methylsulfanyl]-3-phenyl-1,5-dihydroimidazol-3-ium-4-one

Systemtic Name: 2-[(4-nitrophenyl)methylsulfanyl]-3-phenyl-1,5-dihydroimidazol-3-ium-4-one Openeye Name: 2-[(4-nitrophenyl)methylsulfanyl]-3-phenyl-1,5-dihydroimidazol-3-ium-4-one CAS Name: 2-[(4-nitrophenyl)methylthio]-3-phenyl-1,5-dihydroimidazol-3-ium-4-one IUPAC Name: 2-[(4-nitrophenyl)methylsulfanyl]-3-phenyl-1,5-dihydroimidazol-3-ium-4-one Traditional Name: 2-[(4-nitrobenzyl)thio]-3-phenyl-2-imidazolin-3-ium-4-one Formula: C16H14N3O3S+ MolecularWeight: 328.36566

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)[N+](=C(N1)SCC2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3

Isomeric SMILES

C1C(=O)[N+](=C(N1)SCC2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3

InChI

InChI=1S/C16H13N3O3S/c20-15-10-17-16(18(15)13-4-2-1-3-5-13)23-11-12-6-8-14(9-7-12)19(21)22/h1-9H,10-11H2/p+1