(E)-2-(3-methylpyridin-1-ium-1-yl)-1-(3-nitrophenyl)-3-(prop-2-enylamino)-3-sulfanylidene-prop-1-en-1-olate

Systemtic Name: (E)-2-(3-methylpyridin-1-ium-1-yl)-1-(3-nitrophenyl)-3-(prop-2-enylamino)-3-sulfanylidene-prop-1-en-1-olate Openeye Name: (E)-3-(allylamino)-2-(3-methylpyridin-1-ium-1-yl)-1-(3-nitrophenyl)-3-thioxo-prop-1-en-1-olate CAS Name: (E)-2-(3-methyl-1-pyridin-1-iumyl)-1-(3-nitrophenyl)-3-(prop-2-enylamino)-3-sulfanylidene-1-propen-1-olate IUPAC Name: (E)-2-(3-methylpyridin-1-ium-1-yl)-1-(3-nitrophenyl)-3-(prop-2-enylamino)-3-sulfanylideneprop-1-en-1-olate Traditional Name: (E)-3-(allylamino)-2-(3-methylpyridin-1-ium-1-yl)-1-(3-nitrophenyl)-3-thioxo-prop-1-en-1-olate Formula: C18H17N3O3S MolecularWeight: 355.41088

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C[N+](=CC=C1)C(=C(C2=CC(=CC=C2)[N+](=O)[O-])[O-])C(=S)NCC=C

Isomeric SMILES

CC1=C[N+](=CC=C1)/C(=C(\C2=CC(=CC=C2)[N+](=O)[O-])/[O-])/C(=S)NCC=C

InChI

InChI=1S/C18H17N3O3S/c1-3-9-19-18(25)16(20-10-5-6-13(2)12-20)17(22)14-7-4-8-15(11-14)21(23)24/h3-8,10-12H,1,9H2,2H3,(H-,19,22,25)