(phenylmethyl) 3-azanylidene-N-phenyl-2-pyridin-1-ium-1-yl-prop-2-enimidothioate

Systemtic Name: (phenylmethyl) 3-azanylidene-N-phenyl-2-pyridin-1-ium-1-yl-prop-2-enimidothioate Openeye Name: benzyl 3-imino-N-phenyl-2-pyridin-1-ium-1-yl-prop-2-enimidothioate CAS Name: 3-imino-N-phenyl-2-(1-pyridin-1-iumyl)-2-propenimidothioic acid (phenylmethyl) ester IUPAC Name: benzyl 3-imino-N-phenyl-2-pyridin-1-ium-1-ylprop-2-enimidothioate Traditional Name: 3-imino-N-phenyl-2-pyridin-1-ium-1-yl-thioacrylimidic acid benzyl ester Formula: C21H18N3S+ MolecularWeight: 344.45272

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC(=NC2=CC=CC=C2)C(=C=N)[N+]3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CSC(=NC2=CC=CC=C2)C(=C=N)[N+]3=CC=CC=C3

InChI

InChI=1S/C21H18N3S/c22-16-20(24-14-8-3-9-15-24)21(23-19-12-6-2-7-13-19)25-17-18-10-4-1-5-11-18/h1-15,22H,17H2/q+1