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

Systemtic Name: (Z)-1-(4-methyl-3-nitro-phenyl)-3-(prop-2-enylamino)-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-en-1-one Openeye Name: (Z)-3-(allylamino)-1-(4-methyl-3-nitro-phenyl)-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-en-1-one CAS Name: (Z)-3-mercapto-1-(4-methyl-3-nitrophenyl)-3-(prop-2-enylamino)-2-(1-pyridin-1-iumyl)-2-propen-1-one IUPAC Name: (Z)-1-(4-methyl-3-nitrophenyl)-3-(prop-2-enylamino)-2-pyridin-1-ium-1-yl-3-sulfanylprop-2-en-1-one Traditional Name: (Z)-3-(allylamino)-3-mercapto-1-(4-methyl-3-nitro-phenyl)-2-pyridin-1-ium-1-yl-prop-2-en-1-one Formula: C18H18N3O3S+ MolecularWeight: 356.41882

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)/C(=C(\NCC=C)/S)/[N+]2=CC=CC=C2)[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)/p+1