(E)-1-phenyl-3-(phenylmethylsulfanyl)-2-pyridin-1-ium-1-yl-3-sulfanylidene-prop-1-en-1-olate

Systemtic Name: (E)-1-phenyl-3-(phenylmethylsulfanyl)-2-pyridin-1-ium-1-yl-3-sulfanylidene-prop-1-en-1-olate Openeye Name: (E)-3-benzylsulfanyl-1-phenyl-2-pyridin-1-ium-1-yl-3-thioxo-prop-1-en-1-olate CAS Name: (E)-1-phenyl-3-(phenylmethylthio)-2-(1-pyridin-1-iumyl)-3-sulfanylidene-1-propen-1-olate IUPAC Name: (E)-3-benzylsulfanyl-1-phenyl-2-pyridin-1-ium-1-yl-3-sulfanylideneprop-1-en-1-olate Traditional Name: (E)-3-(benzylthio)-1-phenyl-2-pyridin-1-ium-1-yl-3-thioxo-prop-1-en-1-olate Formula: C21H17NOS2 MolecularWeight: 363.49578

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC(=S)C(=C(C2=CC=CC=C2)[O-])[N+]3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CSC(=S)/C(=C(/C2=CC=CC=C2)\[O-])/[N+]3=CC=CC=C3

InChI

InChI=1S/C21H17NOS2/c23-20(18-12-6-2-7-13-18)19(22-14-8-3-9-15-22)21(24)25-16-17-10-4-1-5-11-17/h1-15H,16H2