(E)-4,4-dimethyl-1-phenylazanyl-2-pyridin-1-ium-1-yl-1-sulfanylidene-pent-2-en-3-olate

Systemtic Name: (E)-4,4-dimethyl-1-phenylazanyl-2-pyridin-1-ium-1-yl-1-sulfanylidene-pent-2-en-3-olate Openeye Name: (E)-1-anilino-4,4-dimethyl-2-pyridin-1-ium-1-yl-1-thioxo-pent-2-en-3-olate CAS Name: (E)-1-anilino-4,4-dimethyl-2-(1-pyridin-1-iumyl)-1-sulfanylidene-2-penten-3-olate IUPAC Name: (E)-1-anilino-4,4-dimethyl-2-pyridin-1-ium-1-yl-1-sulfanylidenepent-2-en-3-olate Traditional Name: (E)-1-anilino-4,4-dimethyl-2-pyridin-1-ium-1-yl-1-thioxo-pent-2-en-3-olate Formula: C18H20N2OS MolecularWeight: 312.4292

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=C(C(=S)NC1=CC=CC=C1)[N+]2=CC=CC=C2)[O-]

Isomeric SMILES

CC(C)(C)/C(=C(/C(=S)NC1=CC=CC=C1)\[N+]2=CC=CC=C2)/[O-]

InChI

InChI=1S/C18H20N2OS/c1-18(2,3)16(21)15(20-12-8-5-9-13-20)17(22)19-14-10-6-4-7-11-14/h4-13H,1-3H3,(H-,19,21,22)