(E)-3-[(2-chlorophenyl)amino]-1-(4-nitrophenyl)-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-en-1-one

Systemtic Name: (E)-3-[(2-chlorophenyl)amino]-1-(4-nitrophenyl)-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-en-1-one Openeye Name: (E)-3-(2-chloroanilino)-1-(4-nitrophenyl)-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-en-1-one CAS Name: (E)-3-(2-chloroanilino)-3-mercapto-1-(4-nitrophenyl)-2-(1-pyridin-1-iumyl)-2-propen-1-one IUPAC Name: (E)-3-(2-chloroanilino)-1-(4-nitrophenyl)-2-pyridin-1-ium-1-yl-3-sulfanylprop-2-en-1-one Traditional Name: (E)-3-(2-chloroanilino)-3-mercapto-1-(4-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=C2Cl)S)C(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=[N+](C=C1)/C(=C(\NC2=CC=CC=C2Cl)/S)/C(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

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