3-butyl-6-phenyl-3,4-dihydro-2H-1,3,5-thiadiazin-3-ium

Systemtic Name: 3-butyl-6-phenyl-3,4-dihydro-2H-1,3,5-thiadiazin-3-ium Openeye Name: 3-butyl-6-phenyl-3,4-dihydro-2H-1,3,5-thiadiazin-3-ium CAS Name: 3-butyl-6-phenyl-3,4-dihydro-2H-1,3,5-thiadiazin-3-ium IUPAC Name: 3-butyl-6-phenyl-3,4-dihydro-2H-1,3,5-thiadiazin-3-ium Traditional Name: 3-butyl-6-phenyl-3,4-dihydro-2H-1,3,5-thiadiazin-3-ium Formula: C13H19N2S+ MolecularWeight: 235.36836

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[NH+]1CN=C(SC1)C2=CC=CC=C2

Isomeric SMILES

CCCC[NH+]1CN=C(SC1)C2=CC=CC=C2

InChI

InChI=1S/C13H18N2S/c1-2-3-9-15-10-14-13(16-11-15)12-7-5-4-6-8-12/h4-8H,2-3,9-11H2,1H3/p+1