1-phenyl-3-pyridin-1-ium-2-ylsulfanyl-prop-2-en-1-one

Systemtic Name: 1-phenyl-3-pyridin-1-ium-2-ylsulfanyl-prop-2-en-1-one Openeye Name: 1-phenyl-3-pyridin-1-ium-2-ylsulfanyl-prop-2-en-1-one CAS Name: 1-phenyl-3-(2-pyridin-1-iumylthio)-2-propen-1-one IUPAC Name: 1-phenyl-3-pyridin-1-ium-2-ylsulfanylprop-2-en-1-one Traditional Name: 1-phenyl-3-(pyridin-1-ium-2-ylthio)prop-2-en-1-one Formula: C14H12NOS+ MolecularWeight: 242.31618

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)C=CSC2=CC=CC=[NH+]2

Isomeric SMILES

C1=CC=C(C=C1)C(=O)C=CSC2=CC=CC=[NH+]2

InChI

InChI=1S/C14H11NOS/c16-13(12-6-2-1-3-7-12)9-11-17-14-8-4-5-10-15-14/h1-11H/p+1