(E)-1-(5-chloranylthiophen-2-yl)-3-phenylazanyl-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-en-1-one

Systemtic Name: (E)-1-(5-chloranylthiophen-2-yl)-3-phenylazanyl-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-en-1-one Openeye Name: (E)-3-anilino-1-(5-chloro-2-thienyl)-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-en-1-one CAS Name: (E)-3-anilino-1-(5-chloro-2-thiophenyl)-3-mercapto-2-(1-pyridin-1-iumyl)-2-propen-1-one IUPAC Name: (E)-3-anilino-1-(5-chlorothiophen-2-yl)-2-pyridin-1-ium-1-yl-3-sulfanylprop-2-en-1-one Traditional Name: (E)-3-anilino-1-(5-chloro-2-thienyl)-3-mercapto-2-pyridin-1-ium-1-yl-prop-2-en-1-one Formula: C18H14ClN2OS2+ MolecularWeight: 373.89956

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=C(C(=O)C2=CC=C(S2)Cl)[N+]3=CC=CC=C3)S

Isomeric SMILES

C1=CC=C(C=C1)N/C(=C(/C(=O)C2=CC=C(S2)Cl)\[N+]3=CC=CC=C3)/S

InChI

InChI=1S/C18H13ClN2OS2/c19-15-10-9-14(24-15)17(22)16(21-11-5-2-6-12-21)18(23)20-13-7-3-1-4-8-13/h1-12H,(H-,20,22,23)/p+1