(E)-1-(5-chloranylthiophen-2-yl)-3-[(phenylmethyl)amino]-2-pyridin-1-ium-1-yl-3-sulfanylidene-prop-1-en-1-olate

Systemtic Name: (E)-1-(5-chloranylthiophen-2-yl)-3-[(phenylmethyl)amino]-2-pyridin-1-ium-1-yl-3-sulfanylidene-prop-1-en-1-olate Openeye Name: (E)-3-(benzylamino)-1-(5-chloro-2-thienyl)-2-pyridin-1-ium-1-yl-3-thioxo-prop-1-en-1-olate CAS Name: (E)-1-(5-chloro-2-thiophenyl)-3-[(phenylmethyl)amino]-2-(1-pyridin-1-iumyl)-3-sulfanylidene-1-propen-1-olate IUPAC Name: (E)-3-(benzylamino)-1-(5-chlorothiophen-2-yl)-2-pyridin-1-ium-1-yl-3-sulfanylideneprop-1-en-1-olate Traditional Name: (E)-3-(benzylamino)-1-(5-chloro-2-thienyl)-2-pyridin-1-ium-1-yl-3-thioxo-prop-1-en-1-olate Formula: C19H15ClN2OS2 MolecularWeight: 386.9182

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H15ClN2OS2/c20-16-10-9-15(25-16)18(23)17(22-11-5-2-6-12-22)19(24)21-13-14-7-3-1-4-8-14/h1-12H,13H2,(H-,21,23,24)