(E)-3-(phenylmethylsulfanyl)-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-enenitrile

Systemtic Name: (E)-3-(phenylmethylsulfanyl)-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-enenitrile Openeye Name: (E)-3-benzylsulfanyl-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-enenitrile CAS Name: (E)-3-mercapto-3-(phenylmethylthio)-2-(1-pyridin-1-iumyl)-2-propenenitrile IUPAC Name: (E)-3-benzylsulfanyl-2-pyridin-1-ium-1-yl-3-sulfanylprop-2-enenitrile Traditional Name: (E)-3-(benzylthio)-3-mercapto-2-pyridin-1-ium-1-yl-acrylonitrile Formula: C15H13N2S2+ MolecularWeight: 285.40712

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC(=C(C#N)[N+]2=CC=CC=C2)S

Isomeric SMILES

C1=CC=C(C=C1)CS/C(=C(\C#N)/[N+]2=CC=CC=C2)/S

InChI

InChI=1S/C15H12N2S2/c16-11-14(17-9-5-2-6-10-17)15(18)19-12-13-7-3-1-4-8-13/h1-10H,12H2/p+1/b15-14+