2-[3-(hydroxymethyl)pyridin-1-ium-1-yl]-1-(3-nitrophenyl)-3-phenylazanyl-3-sulfanylidene-prop-1-en-1-olate

Systemtic Name: 2-[3-(hydroxymethyl)pyridin-1-ium-1-yl]-1-(3-nitrophenyl)-3-phenylazanyl-3-sulfanylidene-prop-1-en-1-olate Openeye Name: 3-anilino-2-[3-(hydroxymethyl)pyridin-1-ium-1-yl]-1-(3-nitrophenyl)-3-thioxo-prop-1-en-1-olate CAS Name: 3-anilino-2-[3-(hydroxymethyl)-1-pyridin-1-iumyl]-1-(3-nitrophenyl)-3-sulfanylidene-1-propen-1-olate IUPAC Name: 3-anilino-2-[3-(hydroxymethyl)pyridin-1-ium-1-yl]-1-(3-nitrophenyl)-3-sulfanylideneprop-1-en-1-olate Traditional Name: 3-anilino-2-(3-methylolpyridin-1-ium-1-yl)-1-(3-nitrophenyl)-3-thioxo-prop-1-en-1-olate Formula: C21H17N3O4S MolecularWeight: 407.44238

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=S)C(=C(C2=CC(=CC=C2)[N+](=O)[O-])[O-])[N+]3=CC=CC(=C3)CO

Isomeric SMILES

C1=CC=C(C=C1)NC(=S)C(=C(C2=CC(=CC=C2)[N+](=O)[O-])[O-])[N+]3=CC=CC(=C3)CO

InChI

InChI=1S/C21H17N3O4S/c25-14-15-6-5-11-23(13-15)19(21(29)22-17-8-2-1-3-9-17)20(26)16-7-4-10-18(12-16)24(27)28/h1-13,25H,14H2,(H-,22,26,29)