5-butyl-3-(pyridin-4-ylmethyl)-2-sulfanylidene-1,2,3-thiadiazinan-2-ium

Systemtic Name: 5-butyl-3-(pyridin-4-ylmethyl)-2-sulfanylidene-1,2,3-thiadiazinan-2-ium Openeye Name: 5-butyl-3-(4-pyridylmethyl)-2-thioxo-thiadiazinan-2-ium CAS Name: 5-butyl-3-(pyridin-4-ylmethyl)-2-sulfanylidenethiadiazinan-2-ium IUPAC Name: 5-butyl-3-(pyridin-4-ylmethyl)-2-sulfanylidenethiadiazinan-2-ium Traditional Name: 5-butyl-3-(4-pyridylmethyl)-2-thioxo-thiadiazinan-2-ium Formula: C13H20N3S2+ MolecularWeight: 282.448

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CN([N+](=S)SC1)CC2=CC=NC=C2

Isomeric SMILES

CCCCC1CN([N+](=S)SC1)CC2=CC=NC=C2

InChI

InChI=1S/C13H20N3S2/c1-2-3-4-13-10-15(16(17)18-11-13)9-12-5-7-14-8-6-12/h5-8,13H,2-4,9-11H2,1H3/q+1