(Z)-1-(3-nitrophenyl)-3-(prop-2-enylamino)-2-pyridin-1-ium-1-yl-3-sulfanylidene-prop-1-en-1-olate

Systemtic Name: (Z)-1-(3-nitrophenyl)-3-(prop-2-enylamino)-2-pyridin-1-ium-1-yl-3-sulfanylidene-prop-1-en-1-olate Openeye Name: (Z)-3-(allylamino)-1-(3-nitrophenyl)-2-pyridin-1-ium-1-yl-3-thioxo-prop-1-en-1-olate CAS Name: (Z)-1-(3-nitrophenyl)-3-(prop-2-enylamino)-2-(1-pyridin-1-iumyl)-3-sulfanylidene-1-propen-1-olate IUPAC Name: (Z)-1-(3-nitrophenyl)-3-(prop-2-enylamino)-2-pyridin-1-ium-1-yl-3-sulfanylideneprop-1-en-1-olate Traditional Name: (Z)-3-(allylamino)-1-(3-nitrophenyl)-2-pyridin-1-ium-1-yl-3-thioxo-prop-1-en-1-olate Formula: C17H15N3O3S MolecularWeight: 341.3843

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15N3O3S/c1-2-9-18-17(24)15(19-10-4-3-5-11-19)16(21)13-7-6-8-14(12-13)20(22)23/h2-8,10-12H,1,9H2,(H-,18,21,24)