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

Systemtic Name: (E)-1-(4-nitrophenyl)-3-[(phenylmethyl)amino]-2-pyridin-1-ium-1-yl-3-sulfanylidene-prop-1-en-1-olate Openeye Name: (E)-3-(benzylamino)-1-(4-nitrophenyl)-2-pyridin-1-ium-1-yl-3-thioxo-prop-1-en-1-olate CAS Name: (E)-1-(4-nitrophenyl)-3-[(phenylmethyl)amino]-2-(1-pyridin-1-iumyl)-3-sulfanylidene-1-propen-1-olate IUPAC Name: (E)-3-(benzylamino)-1-(4-nitrophenyl)-2-pyridin-1-ium-1-yl-3-sulfanylideneprop-1-en-1-olate Traditional Name: (E)-3-(benzylamino)-1-(4-nitrophenyl)-2-pyridin-1-ium-1-yl-3-thioxo-prop-1-en-1-olate Formula: C21H17N3O3S MolecularWeight: 391.44298

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H17N3O3S/c25-20(17-9-11-18(12-10-17)24(26)27)19(23-13-5-2-6-14-23)21(28)22-15-16-7-3-1-4-8-16/h1-14H,15H2,(H-,22,25,28)