2-[2-(2,4-dinitrophenyl)sulfanylethyl]-4,6-dimethyl-1-oxidanidyl-pyridin-1-ium

Systemtic Name: 2-[2-(2,4-dinitrophenyl)sulfanylethyl]-4,6-dimethyl-1-oxidanidyl-pyridin-1-ium Openeye Name: 2-[2-(2,4-dinitrophenyl)sulfanylethyl]-4,6-dimethyl-1-oxido-pyridin-1-ium CAS Name: 2-[2-[(2,4-dinitrophenyl)thio]ethyl]-4,6-dimethyl-1-oxidopyridin-1-ium IUPAC Name: 2-[2-(2,4-dinitrophenyl)sulfanylethyl]-4,6-dimethyl-1-oxidopyridin-1-ium Traditional Name: 2-[2-[(2,4-dinitrophenyl)thio]ethyl]-4,6-dimethyl-1-oxido-pyridin-1-ium Formula: C15H15N3O5S MolecularWeight: 349.3617

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=[N+](C(=C1)CCSC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])[O-])C

Isomeric SMILES

CC1=CC(=[N+](C(=C1)CCSC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])[O-])C

InChI

InChI=1S/C15H15N3O5S/c1-10-7-11(2)16(19)12(8-10)5-6-24-15-4-3-13(17(20)21)9-14(15)18(22)23/h3-4,7-9H,5-6H2,1-2H3