1-phenyl-3-(phenylmethylsulfanyl)-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-en-1-one

Systemtic Name: 1-phenyl-3-(phenylmethylsulfanyl)-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-en-1-one Openeye Name: 3-benzylsulfanyl-1-phenyl-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-en-1-one CAS Name: 3-mercapto-1-phenyl-3-(phenylmethylthio)-2-(1-pyridin-1-iumyl)-2-propen-1-one IUPAC Name: 3-benzylsulfanyl-1-phenyl-2-pyridin-1-ium-1-yl-3-sulfanylprop-2-en-1-one Traditional Name: 3-(benzylthio)-3-mercapto-1-phenyl-2-pyridin-1-ium-1-yl-prop-2-en-1-one Formula: C21H18NOS2+ MolecularWeight: 364.50372

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

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/p+1