3-[(5-butyl-1,3-dithiol-3-ium-4-yl)sulfanyl]propanenitrile

Systemtic Name: 3-[(5-butyl-1,3-dithiol-3-ium-4-yl)sulfanyl]propanenitrile Openeye Name: 3-[(5-butyl-1,3-dithiol-3-ium-4-yl)sulfanyl]propanenitrile CAS Name: 3-[(5-butyl-1,3-dithiol-3-ium-4-yl)thio]propanenitrile IUPAC Name: 3-[(5-butyl-1,3-dithiol-3-ium-4-yl)sulfanyl]propanenitrile Traditional Name: 3-[(5-butyl-1,3-dithiol-3-ium-4-yl)thio]propionitrile Formula: C10H14NS3+ MolecularWeight: 244.41986

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C([S+]=CS1)SCCC#N

Isomeric SMILES

CCCCC1=C([S+]=CS1)SCCC#N

InChI

InChI=1S/C10H14NS3/c1-2-3-5-9-10(14-8-13-9)12-7-4-6-11/h8H,2-5,7H2,1H3/q+1