(E)-3-benzamido-1-phenyl-2-pyridin-1-ium-1-yl-3-sulfanylidene-prop-1-en-1-olate

Systemtic Name: (E)-3-benzamido-1-phenyl-2-pyridin-1-ium-1-yl-3-sulfanylidene-prop-1-en-1-olate Openeye Name: (E)-3-benzamido-1-phenyl-2-pyridin-1-ium-1-yl-3-thioxo-prop-1-en-1-olate CAS Name: (E)-3-benzamido-1-phenyl-2-(1-pyridin-1-iumyl)-3-sulfanylidene-1-propen-1-olate IUPAC Name: (E)-3-benzamido-1-phenyl-2-pyridin-1-ium-1-yl-3-sulfanylideneprop-1-en-1-olate Traditional Name: (E)-3-benzamido-1-phenyl-2-pyridin-1-ium-1-yl-3-thioxo-prop-1-en-1-olate Formula: C21H16N2O2S MolecularWeight: 360.42894

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=C(C(=S)NC(=O)C2=CC=CC=C2)[N+]3=CC=CC=C3)[O-]

Isomeric SMILES

C1=CC=C(C=C1)/C(=C(/C(=S)NC(=O)C2=CC=CC=C2)\[N+]3=CC=CC=C3)/[O-]

InChI

InChI=1S/C21H16N2O2S/c24-19(16-10-4-1-5-11-16)18(23-14-8-3-9-15-23)21(26)22-20(25)17-12-6-2-7-13-17/h1-15H,(H-,22,24,25,26)