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

Systemtic Name: 2-(3-methylpyridin-1-ium-1-yl)-3-(naphthalen-1-ylamino)-1-(4-nitrophenyl)-3-sulfanyl-prop-2-en-1-one Openeye Name: 2-(3-methylpyridin-1-ium-1-yl)-3-(1-naphthylamino)-1-(4-nitrophenyl)-3-sulfanyl-prop-2-en-1-one CAS Name: 3-mercapto-2-(3-methyl-1-pyridin-1-iumyl)-3-(1-naphthalenylamino)-1-(4-nitrophenyl)-2-propen-1-one IUPAC Name: 2-(3-methylpyridin-1-ium-1-yl)-3-(naphthalen-1-ylamino)-1-(4-nitrophenyl)-3-sulfanylprop-2-en-1-one Traditional Name: 3-mercapto-2-(3-methylpyridin-1-ium-1-yl)-3-(1-naphthylamino)-1-(4-nitrophenyl)prop-2-en-1-one Formula: C25H20N3O3S+ MolecularWeight: 442.5096

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H19N3O3S/c1-17-6-5-15-27(16-17)23(24(29)19-11-13-20(14-12-19)28(30)31)25(32)26-22-10-4-8-18-7-2-3-9-21(18)22/h2-16H,1H3,(H-,26,29,32)/p+1