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

Systemtic Name: 2-(4-tert-butylpyridin-1-ium-1-yl)-3-(naphthalen-1-ylamino)-1-(4-nitrophenyl)-3-sulfanyl-prop-2-en-1-one Openeye Name: 2-(4-tert-butylpyridin-1-ium-1-yl)-3-(1-naphthylamino)-1-(4-nitrophenyl)-3-sulfanyl-prop-2-en-1-one CAS Name: 2-(4-tert-butyl-1-pyridin-1-iumyl)-3-mercapto-3-(1-naphthalenylamino)-1-(4-nitrophenyl)-2-propen-1-one IUPAC Name: 2-(4-tert-butylpyridin-1-ium-1-yl)-3-(naphthalen-1-ylamino)-1-(4-nitrophenyl)-3-sulfanylprop-2-en-1-one Traditional Name: 2-(4-tert-butylpyridin-1-ium-1-yl)-3-mercapto-3-(1-naphthylamino)-1-(4-nitrophenyl)prop-2-en-1-one Formula: C28H26N3O3S+ MolecularWeight: 484.58934

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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=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C28H25N3O3S/c1-28(2,3)21-15-17-30(18-16-21)25(26(32)20-11-13-22(14-12-20)31(33)34)27(35)29-24-10-6-8-19-7-4-5-9-23(19)24/h4-18H,1-3H3,(H-,29,32,35)/p+1