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

Systemtic Name: phenylazanide; (E)-3-(phenylmethylsulfanyl)-2-pyridin-1-ium-1-yl-prop-2-enenitrile Openeye Name: (E)-3-benzylsulfanyl-2-pyridin-1-ium-1-yl-prop-2-enenitrile; phenylazanide CAS Name: phenylazanide; (E)-3-(phenylmethylthio)-2-(1-pyridin-1-iumyl)-2-propenenitrile IUPAC Name: (E)-3-benzylsulfanyl-2-pyridin-1-ium-1-ylprop-2-enenitrile; phenylazanide Traditional Name: (E)-3-(benzylthio)-2-pyridin-1-ium-1-yl-acrylonitrile; phenylazanide Formula: C21H19N3S MolecularWeight: 345.46066

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC=C(C#N)[N+]2=CC=CC=C2.C1=CC=C(C=C1)[NH-]

Isomeric SMILES

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

InChI

InChI=1S/C15H13N2S.C6H6N/c16-11-15(17-9-5-2-6-10-17)13-18-12-14-7-3-1-4-8-14;7-6-4-2-1-3-5-6/h1-10,13H,12H2;1-5,7H/q+1;-1/b15-13+;