(Z)-1-(4-methyl-3-nitro-phenyl)-3-(prop-2-enylamino)-2-pyridin-1-ium-1-yl-3-sulfanylidene-prop-1-en-1-olate

Systemtic Name: (Z)-1-(4-methyl-3-nitro-phenyl)-3-(prop-2-enylamino)-2-pyridin-1-ium-1-yl-3-sulfanylidene-prop-1-en-1-olate Openeye Name: (Z)-3-(allylamino)-1-(4-methyl-3-nitro-phenyl)-2-pyridin-1-ium-1-yl-3-thioxo-prop-1-en-1-olate CAS Name: (Z)-1-(4-methyl-3-nitrophenyl)-3-(prop-2-enylamino)-2-(1-pyridin-1-iumyl)-3-sulfanylidene-1-propen-1-olate IUPAC Name: (Z)-1-(4-methyl-3-nitrophenyl)-3-(prop-2-enylamino)-2-pyridin-1-ium-1-yl-3-sulfanylideneprop-1-en-1-olate Traditional Name: (Z)-3-(allylamino)-1-(4-methyl-3-nitro-phenyl)-2-pyridin-1-ium-1-yl-3-thioxo-prop-1-en-1-olate Formula: C18H17N3O3S MolecularWeight: 355.41088

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=C(C(=S)NCC=C)[N+]2=CC=CC=C2)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)/C(=C(\C(=S)NCC=C)/[N+]2=CC=CC=C2)/[O-])[N+](=O)[O-]

InChI

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