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

Systemtic Name: 1-(4-methylphenyl)-3-phenylazanyl-2-pyridin-1-ium-1-yl-3-sulfanylidene-prop-1-en-1-olate Openeye Name: 3-anilino-1-(p-tolyl)-2-pyridin-1-ium-1-yl-3-thioxo-prop-1-en-1-olate CAS Name: 3-anilino-1-(4-methylphenyl)-2-(1-pyridin-1-iumyl)-3-sulfanylidene-1-propen-1-olate IUPAC Name: 3-anilino-1-(4-methylphenyl)-2-pyridin-1-ium-1-yl-3-sulfanylideneprop-1-en-1-olate Traditional Name: 3-anilino-1-(p-tolyl)-2-pyridin-1-ium-1-yl-3-thioxo-prop-1-en-1-olate Formula: C21H18N2OS MolecularWeight: 346.44542

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=C(C(=S)NC2=CC=CC=C2)[N+]3=CC=CC=C3)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C(=C(C(=S)NC2=CC=CC=C2)[N+]3=CC=CC=C3)[O-]

InChI

InChI=1S/C21H18N2OS/c1-16-10-12-17(13-11-16)20(24)19(23-14-6-3-7-15-23)21(25)22-18-8-4-2-5-9-18/h2-15H,1H3,(H-,22,24,25)