(E)-3-ethylsulfanyl-2-pyridin-1-ium-1-yl-prop-2-enenitrile; phenylazanide

Systemtic Name: (E)-3-ethylsulfanyl-2-pyridin-1-ium-1-yl-prop-2-enenitrile; phenylazanide Openeye Name: (E)-3-ethylsulfanyl-2-pyridin-1-ium-1-yl-prop-2-enenitrile; phenylazanide CAS Name: (E)-3-(ethylthio)-2-(1-pyridin-1-iumyl)-2-propenenitrile; phenylazanide IUPAC Name: (E)-3-ethylsulfanyl-2-pyridin-1-ium-1-ylprop-2-enenitrile; phenylazanide Traditional Name: (E)-3-(ethylthio)-2-pyridin-1-ium-1-yl-acrylonitrile; phenylazanide Formula: C16H17N3S MolecularWeight: 283.39128

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Descriptors Computed from Structure

Canonical SMILES:

CCSC=C(C#N)[N+]1=CC=CC=C1.C1=CC=C(C=C1)[NH-]

Isomeric SMILES

CCS/C=C(\C#N)/[N+]1=CC=CC=C1.C1=CC=C(C=C1)[NH-]

InChI

InChI=1S/C10H11N2S.C6H6N/c1-2-13-9-10(8-11)12-6-4-3-5-7-12;7-6-4-2-1-3-5-6/h3-7,9H,2H2,1H3;1-5,7H/q+1;-1/b10-9+;