(E)-1-(4-methoxyphenyl)-3-phenylazanyl-2-pyridin-1-ium-1-yl-3-sulfanylidene-prop-1-en-1-olate

Systemtic Name: (E)-1-(4-methoxyphenyl)-3-phenylazanyl-2-pyridin-1-ium-1-yl-3-sulfanylidene-prop-1-en-1-olate Openeye Name: (E)-3-anilino-1-(4-methoxyphenyl)-2-pyridin-1-ium-1-yl-3-thioxo-prop-1-en-1-olate CAS Name: (E)-3-anilino-1-(4-methoxyphenyl)-2-(1-pyridin-1-iumyl)-3-sulfanylidene-1-propen-1-olate IUPAC Name: (E)-3-anilino-1-(4-methoxyphenyl)-2-pyridin-1-ium-1-yl-3-sulfanylideneprop-1-en-1-olate Traditional Name: (E)-3-anilino-1-(4-methoxyphenyl)-2-pyridin-1-ium-1-yl-3-thioxo-prop-1-en-1-olate Formula: C21H18N2O2S MolecularWeight: 362.44482

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=C(C(=S)NC2=CC=CC=C2)[N+]3=CC=CC=C3)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)/C(=C(/C(=S)NC2=CC=CC=C2)\[N+]3=CC=CC=C3)/[O-]

InChI

InChI=1S/C21H18N2O2S/c1-25-18-12-10-16(11-13-18)20(24)19(23-14-6-3-7-15-23)21(26)22-17-8-4-2-5-9-17/h2-15H,1H3,(H-,22,24,26)