3-ethylsulfanyl-1-phenyl-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-en-1-one

Systemtic Name: 3-ethylsulfanyl-1-phenyl-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-en-1-one Openeye Name: 3-ethylsulfanyl-1-phenyl-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-en-1-one CAS Name: 3-(ethylthio)-3-mercapto-1-phenyl-2-(1-pyridin-1-iumyl)-2-propen-1-one IUPAC Name: 3-ethylsulfanyl-1-phenyl-2-pyridin-1-ium-1-yl-3-sulfanylprop-2-en-1-one Traditional Name: 3-(ethylthio)-3-mercapto-1-phenyl-2-pyridin-1-ium-1-yl-prop-2-en-1-one Formula: C16H16NOS2+ MolecularWeight: 302.43434

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Descriptors Computed from Structure

Canonical SMILES:

CCSC(=C(C(=O)C1=CC=CC=C1)[N+]2=CC=CC=C2)S

Isomeric SMILES

CCSC(=C(C(=O)C1=CC=CC=C1)[N+]2=CC=CC=C2)S

InChI

InChI=1S/C16H15NOS2/c1-2-20-16(19)14(17-11-7-4-8-12-17)15(18)13-9-5-3-6-10-13/h3-12H,2H2,1H3/p+1