1-(4-ethylphenyl)-3-[(3-methylphenyl)amino]-2-pyridin-1-ium-1-yl-3-sulfanylidene-prop-1-en-1-olate

Systemtic Name: 1-(4-ethylphenyl)-3-[(3-methylphenyl)amino]-2-pyridin-1-ium-1-yl-3-sulfanylidene-prop-1-en-1-olate Openeye Name: 1-(4-ethylphenyl)-3-(3-methylanilino)-2-pyridin-1-ium-1-yl-3-thioxo-prop-1-en-1-olate CAS Name: 1-(4-ethylphenyl)-3-(3-methylanilino)-2-(1-pyridin-1-iumyl)-3-sulfanylidene-1-propen-1-olate IUPAC Name: 1-(4-ethylphenyl)-3-(3-methylanilino)-2-pyridin-1-ium-1-yl-3-sulfanylideneprop-1-en-1-olate Traditional Name: 1-(4-ethylphenyl)-3-(m-toluidino)-2-pyridin-1-ium-1-yl-3-thioxo-prop-1-en-1-olate Formula: C23H22N2OS MolecularWeight: 374.49858

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=C(C(=S)NC2=CC=CC(=C2)C)[N+]3=CC=CC=C3)[O-]

Isomeric SMILES

CCC1=CC=C(C=C1)C(=C(C(=S)NC2=CC=CC(=C2)C)[N+]3=CC=CC=C3)[O-]

InChI

InChI=1S/C23H22N2OS/c1-3-18-10-12-19(13-11-18)22(26)21(25-14-5-4-6-15-25)23(27)24-20-9-7-8-17(2)16-20/h4-16H,3H2,1-2H3,(H-,24,26,27)