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

Systemtic Name: (E)-1-(4-tert-butylphenyl)-3-[(2-methylphenyl)amino]-2-pyridin-1-ium-1-yl-3-sulfanylidene-prop-1-en-1-olate Openeye Name: (E)-1-(4-tert-butylphenyl)-3-(2-methylanilino)-2-pyridin-1-ium-1-yl-3-thioxo-prop-1-en-1-olate CAS Name: (E)-1-(4-tert-butylphenyl)-3-(2-methylanilino)-2-(1-pyridin-1-iumyl)-3-sulfanylidene-1-propen-1-olate IUPAC Name: (E)-1-(4-tert-butylphenyl)-3-(2-methylanilino)-2-pyridin-1-ium-1-yl-3-sulfanylideneprop-1-en-1-olate Traditional Name: (E)-1-(4-tert-butylphenyl)-3-(o-toluidino)-2-pyridin-1-ium-1-yl-3-thioxo-prop-1-en-1-olate Formula: C25H26N2OS MolecularWeight: 402.55174

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=S)C(=C(C2=CC=C(C=C2)C(C)(C)C)[O-])[N+]3=CC=CC=C3

Isomeric SMILES

CC1=CC=CC=C1NC(=S)/C(=C(/C2=CC=C(C=C2)C(C)(C)C)\[O-])/[N+]3=CC=CC=C3

InChI

InChI=1S/C25H26N2OS/c1-18-10-6-7-11-21(18)26-24(29)22(27-16-8-5-9-17-27)23(28)19-12-14-20(15-13-19)25(2,3)4/h5-17H,1-4H3,(H-,26,28,29)