1-(3,4-dichlorophenyl)-3-phenylazanyl-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-en-1-one

Systemtic Name: 1-(3,4-dichlorophenyl)-3-phenylazanyl-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-en-1-one Openeye Name: 3-anilino-1-(3,4-dichlorophenyl)-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-en-1-one CAS Name: 3-anilino-1-(3,4-dichlorophenyl)-3-mercapto-2-(1-pyridin-1-iumyl)-2-propen-1-one IUPAC Name: 3-anilino-1-(3,4-dichlorophenyl)-2-pyridin-1-ium-1-yl-3-sulfanylprop-2-en-1-one Traditional Name: 3-anilino-1-(3,4-dichlorophenyl)-3-mercapto-2-pyridin-1-ium-1-yl-prop-2-en-1-one Formula: C20H15Cl2N2OS+ MolecularWeight: 402.3169

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H14Cl2N2OS/c21-16-10-9-14(13-17(16)22)19(25)18(24-11-5-2-6-12-24)20(26)23-15-7-3-1-4-8-15/h1-13H,(H-,23,25,26)/p+1