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

Systemtic Name: 2-(4-tert-butylpyridin-1-ium-1-yl)-1-(3-chlorophenyl)-3-(naphthalen-1-ylamino)-3-sulfanyl-prop-2-en-1-one Openeye Name: 2-(4-tert-butylpyridin-1-ium-1-yl)-1-(3-chlorophenyl)-3-(1-naphthylamino)-3-sulfanyl-prop-2-en-1-one CAS Name: 2-(4-tert-butyl-1-pyridin-1-iumyl)-1-(3-chlorophenyl)-3-mercapto-3-(1-naphthalenylamino)-2-propen-1-one IUPAC Name: 2-(4-tert-butylpyridin-1-ium-1-yl)-1-(3-chlorophenyl)-3-(naphthalen-1-ylamino)-3-sulfanylprop-2-en-1-one Traditional Name: 2-(4-tert-butylpyridin-1-ium-1-yl)-1-(3-chlorophenyl)-3-mercapto-3-(1-naphthylamino)prop-2-en-1-one Formula: C28H26ClN2OS+ MolecularWeight: 474.03684

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H25ClN2OS/c1-28(2,3)21-14-16-31(17-15-21)25(26(32)20-10-6-11-22(29)18-20)27(33)30-24-13-7-9-19-8-4-5-12-23(19)24/h4-18H,1-3H3,(H-,30,32,33)/p+1