2-(4-tert-butylpyridin-1-ium-1-yl)-1-(3-chlorophenyl)-3-[(3,5-dimethylphenyl)amino]-3-sulfanyl-prop-2-en-1-one

Systemtic Name: 2-(4-tert-butylpyridin-1-ium-1-yl)-1-(3-chlorophenyl)-3-[(3,5-dimethylphenyl)amino]-3-sulfanyl-prop-2-en-1-one Openeye Name: 2-(4-tert-butylpyridin-1-ium-1-yl)-1-(3-chlorophenyl)-3-(3,5-dimethylanilino)-3-sulfanyl-prop-2-en-1-one CAS Name: 2-(4-tert-butyl-1-pyridin-1-iumyl)-1-(3-chlorophenyl)-3-(3,5-dimethylanilino)-3-mercapto-2-propen-1-one IUPAC Name: 2-(4-tert-butylpyridin-1-ium-1-yl)-1-(3-chlorophenyl)-3-(3,5-dimethylanilino)-3-sulfanylprop-2-en-1-one Traditional Name: 2-(4-tert-butylpyridin-1-ium-1-yl)-1-(3-chlorophenyl)-3-(3,5-dimethylanilino)-3-mercapto-prop-2-en-1-one Formula: C26H28ClN2OS+ MolecularWeight: 452.03132

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H27ClN2OS/c1-17-13-18(2)15-22(14-17)28-25(31)23(24(30)19-7-6-8-21(27)16-19)29-11-9-20(10-12-29)26(3,4)5/h6-16H,1-5H3,(H-,28,30,31)/p+1