(E)-1-(3,4-dichlorophenyl)-3-[(phenylmethyl)amino]-2-pyridin-1-ium-1-yl-3-sulfanylidene-prop-1-en-1-olate

Systemtic Name: (E)-1-(3,4-dichlorophenyl)-3-[(phenylmethyl)amino]-2-pyridin-1-ium-1-yl-3-sulfanylidene-prop-1-en-1-olate Openeye Name: (E)-3-(benzylamino)-1-(3,4-dichlorophenyl)-2-pyridin-1-ium-1-yl-3-thioxo-prop-1-en-1-olate CAS Name: (E)-1-(3,4-dichlorophenyl)-3-[(phenylmethyl)amino]-2-(1-pyridin-1-iumyl)-3-sulfanylidene-1-propen-1-olate IUPAC Name: (E)-3-(benzylamino)-1-(3,4-dichlorophenyl)-2-pyridin-1-ium-1-yl-3-sulfanylideneprop-1-en-1-olate Traditional Name: (E)-3-(benzylamino)-1-(3,4-dichlorophenyl)-2-pyridin-1-ium-1-yl-3-thioxo-prop-1-en-1-olate Formula: C21H16Cl2N2OS MolecularWeight: 415.33554

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H16Cl2N2OS/c22-17-10-9-16(13-18(17)23)20(26)19(25-11-5-2-6-12-25)21(27)24-14-15-7-3-1-4-8-15/h1-13H,14H2,(H-,24,26,27)