5-methyl-2-(4-nitrophenyl)-1,1-bis(oxidanylidene)-4-phenyl-1,2-thiazol-3-one

Systemtic Name: 5-methyl-2-(4-nitrophenyl)-1,1-bis(oxidanylidene)-4-phenyl-1,2-thiazol-3-one Openeye Name: 5-methyl-2-(4-nitrophenyl)-1,1-dioxo-4-phenyl-isothiazol-3-one CAS Name: 5-methyl-2-(4-nitrophenyl)-1,1-dioxo-4-phenyl-3-isothiazolone IUPAC Name: 5-methyl-2-(4-nitrophenyl)-1,1-dioxo-4-phenyl-1,2-thiazol-3-one Traditional Name: 1,1-diketo-5-methyl-2-(4-nitrophenyl)-4-phenyl-isothiazol-3-one Formula: C16H12N2O5S MolecularWeight: 344.34188

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(S1(=O)=O)C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=O)N(S1(=O)=O)C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3

InChI

InChI=1S/C16H12N2O5S/c1-11-15(12-5-3-2-4-6-12)16(19)17(24(11,22)23)13-7-9-14(10-8-13)18(20)21/h2-10H,1H3