3-[(4-chlorophenyl)amino]-1-(3-nitrophenyl)-2-pyridin-1-ium-1-yl-3-sulfanylidene-prop-1-en-1-olate

Systemtic Name: 3-[(4-chlorophenyl)amino]-1-(3-nitrophenyl)-2-pyridin-1-ium-1-yl-3-sulfanylidene-prop-1-en-1-olate Openeye Name: 3-(4-chloroanilino)-1-(3-nitrophenyl)-2-pyridin-1-ium-1-yl-3-thioxo-prop-1-en-1-olate CAS Name: 3-(4-chloroanilino)-1-(3-nitrophenyl)-2-(1-pyridin-1-iumyl)-3-sulfanylidene-1-propen-1-olate IUPAC Name: 3-(4-chloroanilino)-1-(3-nitrophenyl)-2-pyridin-1-ium-1-yl-3-sulfanylideneprop-1-en-1-olate Traditional Name: 3-(4-chloroanilino)-1-(3-nitrophenyl)-2-pyridin-1-ium-1-yl-3-thioxo-prop-1-en-1-olate Formula: C20H14ClN3O3S MolecularWeight: 411.86146

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[N+](C=C1)C(=C(C2=CC(=CC=C2)[N+](=O)[O-])[O-])C(=S)NC3=CC=C(C=C3)Cl

Isomeric SMILES

C1=CC=[N+](C=C1)C(=C(C2=CC(=CC=C2)[N+](=O)[O-])[O-])C(=S)NC3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H14ClN3O3S/c21-15-7-9-16(10-8-15)22-20(28)18(23-11-2-1-3-12-23)19(25)14-5-4-6-17(13-14)24(26)27/h1-13H,(H-,22,25,28)