2-(2,4-dinitrophenyl)sulfanyl-3-methyl-1,4,5,6-tetrahydropyrimidin-3-ium

Systemtic Name: 2-(2,4-dinitrophenyl)sulfanyl-3-methyl-1,4,5,6-tetrahydropyrimidin-3-ium Openeye Name: 2-(2,4-dinitrophenyl)sulfanyl-3-methyl-1,4,5,6-tetrahydropyrimidin-3-ium CAS Name: 2-[(2,4-dinitrophenyl)thio]-3-methyl-1,4,5,6-tetrahydropyrimidin-3-ium IUPAC Name: 2-(2,4-dinitrophenyl)sulfanyl-3-methyl-1,4,5,6-tetrahydropyrimidin-3-ium Traditional Name: 2-[(2,4-dinitrophenyl)thio]-3-methyl-1,4,5,6-tetrahydropyrimidin-3-ium Formula: C11H13N4O4S+ MolecularWeight: 297.31032

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(NCCC1)SC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C[N+]1=C(NCCC1)SC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C11H12N4O4S/c1-13-6-2-5-12-11(13)20-10-4-3-8(14(16)17)7-9(10)15(18)19/h3-4,7H,2,5-6H2,1H3/p+1