2-(3,5-dimethyl-2-nitro-phenyl)sulfanyl-1-oxidanidyl-pyridin-1-ium

Systemtic Name: 2-(3,5-dimethyl-2-nitro-phenyl)sulfanyl-1-oxidanidyl-pyridin-1-ium Openeye Name: 2-(3,5-dimethyl-2-nitro-phenyl)sulfanyl-1-oxido-pyridin-1-ium CAS Name: 2-[(3,5-dimethyl-2-nitrophenyl)thio]-1-oxidopyridin-1-ium IUPAC Name: 2-(3,5-dimethyl-2-nitrophenyl)sulfanyl-1-oxidopyridin-1-ium Traditional Name: 2-[(3,5-dimethyl-2-nitro-phenyl)thio]-1-oxido-pyridin-1-ium Formula: C13H12N2O3S MolecularWeight: 276.31098

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)SC2=CC=CC=[N+]2[O-])[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C(=C1)SC2=CC=CC=[N+]2[O-])[N+](=O)[O-])C

InChI

InChI=1S/C13H12N2O3S/c1-9-7-10(2)13(15(17)18)11(8-9)19-12-5-3-4-6-14(12)16/h3-8H,1-2H3