2-(4-tert-butylpyridin-1-ium-1-yl)-1-(4-methoxyphenyl)-3-[(3-methylphenyl)amino]-3-sulfanyl-prop-2-en-1-one

Systemtic Name: 2-(4-tert-butylpyridin-1-ium-1-yl)-1-(4-methoxyphenyl)-3-[(3-methylphenyl)amino]-3-sulfanyl-prop-2-en-1-one Openeye Name: 2-(4-tert-butylpyridin-1-ium-1-yl)-1-(4-methoxyphenyl)-3-(3-methylanilino)-3-sulfanyl-prop-2-en-1-one CAS Name: 2-(4-tert-butyl-1-pyridin-1-iumyl)-3-mercapto-1-(4-methoxyphenyl)-3-(3-methylanilino)-2-propen-1-one IUPAC Name: 2-(4-tert-butylpyridin-1-ium-1-yl)-1-(4-methoxyphenyl)-3-(3-methylanilino)-3-sulfanylprop-2-en-1-one Traditional Name: 2-(4-tert-butylpyridin-1-ium-1-yl)-3-mercapto-1-(4-methoxyphenyl)-3-(m-toluidino)prop-2-en-1-one Formula: C26H29N2O2S+ MolecularWeight: 433.58566

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H28N2O2S/c1-18-7-6-8-21(17-18)27-25(31)23(24(29)19-9-11-22(30-5)12-10-19)28-15-13-20(14-16-28)26(2,3)4/h6-17H,1-5H3,(H-,27,29,31)/p+1