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

Systemtic Name: (E)-3-(naphthalen-1-ylmethylsulfanyl)-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-enenitrile Openeye Name: (E)-3-(1-naphthylmethylsulfanyl)-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-enenitrile CAS Name: (E)-3-mercapto-3-(1-naphthalenylmethylthio)-2-(1-pyridin-1-iumyl)-2-propenenitrile IUPAC Name: (E)-3-(naphthalen-1-ylmethylsulfanyl)-2-pyridin-1-ium-1-yl-3-sulfanylprop-2-enenitrile Traditional Name: (E)-3-mercapto-3-(1-naphthylmethylthio)-2-pyridin-1-ium-1-yl-acrylonitrile Formula: C19H15N2S2+ MolecularWeight: 335.4658

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[N+](C=C1)C(=C(S)SCC2=CC=CC3=CC=CC=C32)C#N

Isomeric SMILES

C1=CC=[N+](C=C1)/C(=C(\S)/SCC2=CC=CC3=CC=CC=C32)/C#N

InChI

InChI=1S/C19H14N2S2/c20-13-18(21-11-4-1-5-12-21)19(22)23-14-16-9-6-8-15-7-2-3-10-17(15)16/h1-12H,14H2/p+1/b19-18+