3-but-3-ynylsulfanyl-1-ethyl-pyrazin-1-ium

Systemtic Name: 3-but-3-ynylsulfanyl-1-ethyl-pyrazin-1-ium Openeye Name: 3-but-3-ynylsulfanyl-1-ethyl-pyrazin-1-ium CAS Name: 3-(but-3-ynylthio)-1-ethylpyrazin-1-ium IUPAC Name: 3-but-3-ynylsulfanyl-1-ethylpyrazin-1-ium Traditional Name: 3-(but-3-ynylthio)-1-ethyl-pyrazin-1-ium Formula: C10H13N2S+ MolecularWeight: 193.28862

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=CC(=NC=C1)SCCC#C

Isomeric SMILES

CC[N+]1=CC(=NC=C1)SCCC#C

InChI

InChI=1S/C10H13N2S/c1-3-5-8-13-10-9-12(4-2)7-6-11-10/h1,6-7,9H,4-5,8H2,2H3/q+1