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

Systemtic Name: 2-(4-tert-butylpyridin-1-ium-1-yl)-3-[(4-chlorophenyl)amino]-1-(3,4-dimethoxyphenyl)-3-sulfanyl-prop-2-en-1-one Openeye Name: 2-(4-tert-butylpyridin-1-ium-1-yl)-3-(4-chloroanilino)-1-(3,4-dimethoxyphenyl)-3-sulfanyl-prop-2-en-1-one CAS Name: 2-(4-tert-butyl-1-pyridin-1-iumyl)-3-(4-chloroanilino)-1-(3,4-dimethoxyphenyl)-3-mercapto-2-propen-1-one IUPAC Name: 2-(4-tert-butylpyridin-1-ium-1-yl)-3-(4-chloroanilino)-1-(3,4-dimethoxyphenyl)-3-sulfanylprop-2-en-1-one Traditional Name: 2-(4-tert-butylpyridin-1-ium-1-yl)-3-(4-chloroanilino)-1-(3,4-dimethoxyphenyl)-3-mercapto-prop-2-en-1-one Formula: C26H28ClN2O3S+ MolecularWeight: 484.03012

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H27ClN2O3S/c1-26(2,3)18-12-14-29(15-13-18)23(25(33)28-20-9-7-19(27)8-10-20)24(30)17-6-11-21(31-4)22(16-17)32-5/h6-16H,1-5H3,(H-,28,30,33)/p+1