3-[(3-chlorophenyl)amino]-1-(3-nitrophenyl)-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-en-1-one

Systemtic Name: 3-[(3-chlorophenyl)amino]-1-(3-nitrophenyl)-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-en-1-one Openeye Name: 3-(3-chloroanilino)-1-(3-nitrophenyl)-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-en-1-one CAS Name: 3-(3-chloroanilino)-3-mercapto-1-(3-nitrophenyl)-2-(1-pyridin-1-iumyl)-2-propen-1-one IUPAC Name: 3-(3-chloroanilino)-1-(3-nitrophenyl)-2-pyridin-1-ium-1-yl-3-sulfanylprop-2-en-1-one Traditional Name: 3-(3-chloroanilino)-3-mercapto-1-(3-nitrophenyl)-2-pyridin-1-ium-1-yl-prop-2-en-1-one Formula: C20H15ClN3O3S+ MolecularWeight: 412.8694

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[N+](C=C1)C(=C(NC2=CC(=CC=C2)Cl)S)C(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=[N+](C=C1)C(=C(NC2=CC(=CC=C2)Cl)S)C(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

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