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

Systemtic Name: 1-(4-tert-butylphenyl)-3-[(4-chlorophenyl)amino]-2-pyridin-1-ium-1-yl-3-sulfanylidene-prop-1-en-1-olate Openeye Name: 1-(4-tert-butylphenyl)-3-(4-chloroanilino)-2-pyridin-1-ium-1-yl-3-thioxo-prop-1-en-1-olate CAS Name: 1-(4-tert-butylphenyl)-3-(4-chloroanilino)-2-(1-pyridin-1-iumyl)-3-sulfanylidene-1-propen-1-olate IUPAC Name: 1-(4-tert-butylphenyl)-3-(4-chloroanilino)-2-pyridin-1-ium-1-yl-3-sulfanylideneprop-1-en-1-olate Traditional Name: 1-(4-tert-butylphenyl)-3-(4-chloroanilino)-2-pyridin-1-ium-1-yl-3-thioxo-prop-1-en-1-olate Formula: C24H23ClN2OS MolecularWeight: 422.97022

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H23ClN2OS/c1-24(2,3)18-9-7-17(8-10-18)22(28)21(27-15-5-4-6-16-27)23(29)26-20-13-11-19(25)12-14-20/h4-16H,1-3H3,(H-,26,28,29)