3-(ethylamino)-1-(4-methyl-3-nitro-phenyl)-2-(3-methylpyridin-1-ium-1-yl)-3-sulfanyl-prop-2-en-1-one

Systemtic Name: 3-(ethylamino)-1-(4-methyl-3-nitro-phenyl)-2-(3-methylpyridin-1-ium-1-yl)-3-sulfanyl-prop-2-en-1-one Openeye Name: 3-(ethylamino)-1-(4-methyl-3-nitro-phenyl)-2-(3-methylpyridin-1-ium-1-yl)-3-sulfanyl-prop-2-en-1-one CAS Name: 3-(ethylamino)-3-mercapto-1-(4-methyl-3-nitrophenyl)-2-(3-methyl-1-pyridin-1-iumyl)-2-propen-1-one IUPAC Name: 3-(ethylamino)-1-(4-methyl-3-nitrophenyl)-2-(3-methylpyridin-1-ium-1-yl)-3-sulfanylprop-2-en-1-one Traditional Name: 3-(ethylamino)-3-mercapto-1-(4-methyl-3-nitro-phenyl)-2-(3-methylpyridin-1-ium-1-yl)prop-2-en-1-one Formula: C18H20N3O3S+ MolecularWeight: 358.4347

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=C(C(=O)C1=CC(=C(C=C1)C)[N+](=O)[O-])[N+]2=CC=CC(=C2)C)S

Isomeric SMILES

CCNC(=C(C(=O)C1=CC(=C(C=C1)C)[N+](=O)[O-])[N+]2=CC=CC(=C2)C)S

InChI

InChI=1S/C18H19N3O3S/c1-4-19-18(25)16(20-9-5-6-12(2)11-20)17(22)14-8-7-13(3)15(10-14)21(23)24/h5-11H,4H2,1-3H3,(H-,19,22,25)/p+1