2-(4-tert-butylpyridin-1-ium-1-yl)-1-(3,4-dimethylphenyl)-3-(naphthalen-1-ylamino)-3-sulfanyl-prop-2-en-1-one

Systemtic Name: 2-(4-tert-butylpyridin-1-ium-1-yl)-1-(3,4-dimethylphenyl)-3-(naphthalen-1-ylamino)-3-sulfanyl-prop-2-en-1-one Openeye Name: 2-(4-tert-butylpyridin-1-ium-1-yl)-1-(3,4-dimethylphenyl)-3-(1-naphthylamino)-3-sulfanyl-prop-2-en-1-one CAS Name: 2-(4-tert-butyl-1-pyridin-1-iumyl)-1-(3,4-dimethylphenyl)-3-mercapto-3-(1-naphthalenylamino)-2-propen-1-one IUPAC Name: 2-(4-tert-butylpyridin-1-ium-1-yl)-1-(3,4-dimethylphenyl)-3-(naphthalen-1-ylamino)-3-sulfanylprop-2-en-1-one Traditional Name: 2-(4-tert-butylpyridin-1-ium-1-yl)-1-(3,4-dimethylphenyl)-3-mercapto-3-(1-naphthylamino)prop-2-en-1-one Formula: C30H31N2OS+ MolecularWeight: 467.64494

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)C(=C(NC2=CC=CC3=CC=CC=C32)S)[N+]4=CC=C(C=C4)C(C)(C)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)C(=C(NC2=CC=CC3=CC=CC=C32)S)[N+]4=CC=C(C=C4)C(C)(C)C)C

InChI

InChI=1S/C30H30N2OS/c1-20-13-14-23(19-21(20)2)28(33)27(32-17-15-24(16-18-32)30(3,4)5)29(34)31-26-12-8-10-22-9-6-7-11-25(22)26/h6-19H,1-5H3,(H-,31,33,34)/p+1